Methyl 3,5-dihydroxybenzoate - ≥98% , CAS No.2150-44-9

CAS: 2150-44-9 Cat. No.: M103567 Fórmula: (HO)₂C₆H₃CO₂CH₃ Peso molecular: 168.15 Beilstein Registry Number: 10405 Número CE: 218-426-2

GRADE & PURITY ≥98%

Synonyms

AMY30290 | Z104487920 | AN-651/43112578 | cinc | EINECS 218-426-2 | Methyl 3,5-hydroxybenzoate | BDBM50428392 | Lead monosulfate | SY001681 | F3308-4032 | Zirkonium | AlCl3 | alpha-Resorcylic Acid Methyl Ester | californio | UNII-41U1BRD8AX | alpha-Resorc

Storage

Room temperature

Shipped In

Normal

Visão geral

Methyl 3,5-dihydroxybenzoate was used in the synthesis of cored dendrimers. It was also used in the preparation of bis(5-carbomethoxy-1,3-phenylene)-32-crown-10, a semi-rigid 32-membered ring diester crown ether.

The ribonucleotide reductase inhibition and antitumor activity of methyl 3, 5-dihydroxybenzoate were studied

Specifications

Sinónimos

AMY30290 | Z104487920 | AN-651/43112578 | cinc | EINECS 218-426-2 | Methyl 3,5-hydroxybenzoate | BDBM50428392 | Lead monosulfate | SY001681 | F3308-4032 | Zirkonium | AlCl3 | alpha-Resorcylic Acid Methyl Ester | californio | UNII-41U1BRD8AX | alpha-Resorc

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488185029
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185029
• Sorrisos canónicos: COC(=O)C1=CC(=CC(=C1)O)O
• IUPAC Name: methyl 3,5-dihydroxybenzoate
• InChIKey: RNVFYQUEEMZKLR-UHFFFAOYSA-N
• INCHI: 1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3
• SMILES isoméricas: COC(=O)C1=CC(=CC(=C1)O)O
• WGK Alemanha: 3
• Peso molecular: 168.15
• Beilstein: 10405
• Reaxy-Rn: 2091651
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091651&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 m-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: m-Hydroxybenzoic acid esters
• Alternative Parents: Resorcinols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-hydroxybenzoic acid ester - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

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CA2 Tclin Carbonic anhydrase 2 (1 Activities)

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CA12 Tclin Carbonic anhydrase 12 (1 Activities)

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CA14 Tclin Carbonic anhydrase 14 (1 Activities)

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CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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CA7 Tclin Carbonic anhydrase 7 (1 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Alvos associados (não humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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Ralstonia solanacearum (520 Activities)

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Trypanosoma cruzi (99888 Activities)

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J774 (3120 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Ponto de fusão (°C): 167-170°C
• Peso molecular: 168.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 158.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2150-44-9, the molecular formula is C8H8O4, and the molecular weight is 168.15 g/mol. InChIKey RNVFYQUEEMZKLR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.