methyl 2-formyl-4-hydroxy-benzoate - ≥97% , CAS No.1701806-37-2

CAS: 1701806-37-2 Cat. No.: M630229 Summenformel: C₉H₈O₄ Molekulargewicht: 180.16 EG-Nummer: 872-107-8 PubChem CID: 121552961

QUALITÄT & REINHEIT ≥97%

Synonyms

EN300-248864 | methyl2-formyl-4-hydroxybenzoate | SY208102 | Z1511859311 | BS-43132 | SCHEMBL24414556 | MFCD24681961 | methyl 2-formyl-4-hydroxybenzoate | methyl 2-formyl-4-hydroxy-benzoate | 1701806-37-2 | D79386 | BTC80637

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

EN300-248864 | methyl2-formyl-4-hydroxybenzoate | SY208102 | Z1511859311 | BS-43132 | SCHEMBL24414556 | MFCD24681961 | methyl 2-formyl-4-hydroxybenzoate | methyl 2-formyl-4-hydroxy-benzoate | 1701806-37-2 | D79386 | BTC80637

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

COC(=O)C1=C(C=C(C=C1)O)C=O

IUPAC Name

methyl 2-formyl-4-hydroxybenzoate

InChIKey

DJJFRPQSYDJWQP-UHFFFAOYSA-N

INCHI

1S/C9H8O4/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-5,11H,1H3

Isomere SMILES

COC(=O)C1=C(C=C(C=C1)O)C=O

Alternative CAS-Nummer

1701806-37-2

PubChem CID

121552961

Molekulargewicht

180.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzoic acid esters
          • Ebene6 p-Hydroxybenzoic acid esters
            • Ebene7 p-Hydroxybenzoic acid alkyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters - p-Hydroxybenzoic acid esters
• Direct Parent: p-Hydroxybenzoic acid alkyl esters
• Alternative Parents: Hydroxybenzaldehydes Benzoyl derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-hydroxybenzoic acid alkyl ester - Hydroxybenzaldehyde - Benzoyl - Benzaldehyde - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Phenol - Fatty acid ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 180.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.042 Da
• Monoisotopic Mass: 180.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 202.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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 1701806-37-2, the molecular formula is C9H8O4, and the molecular weight is 180.16 g/mol. InChIKey DJJFRPQSYDJWQP-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.