Methyl 4-formyl-3-hydroxybenzoate - ≥95% , CAS No.24589-98-8

CAS: 24589-98-8 Cat. No.: M588382 Fórmula: C₉H₈O₄ Peso molecular: 180.16 Número CE: 832-271-3

GRADE & PURITY ≥95%

Synonyms

ZAA58998 | AKOS022640436 | MFCD17015455 | Z1255397942 | methyl 4-formyl-3-hydroxybenzoate | METHYL 4-FORMYL-3-HYDOXYBENZOATE | Methyl 3-hydroxy-4-formylbenzoate | 2-hydroxy-4-methoxycarbonylbenzaldehyde | 4-Carbomethoxysalicylaldehyde | OMCTZIDLDSYPOA-UHF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

ZAA58998 | AKOS022640436 | MFCD17015455 | Z1255397942 | methyl 4-formyl-3-hydroxybenzoate | METHYL 4-FORMYL-3-HYDOXYBENZOATE | Methyl 3-hydroxy-4-formylbenzoate | 2-hydroxy-4-methoxycarbonylbenzaldehyde | 4-Carbomethoxysalicylaldehyde | OMCTZIDLDSYPOA-UHF

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504767628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767628

Sorrisos canónicos

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

IUPAC Name

methyl 4-formyl-3-hydroxybenzoate

InChIKey

OMCTZIDLDSYPOA-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

Peso molecular

180.16

Reaxy-Rn

2644033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2644033&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: Hydroxybenzaldehydes Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-hydroxybenzoic acid ester - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Aldehyde - Organic oxide - Organic oxygen compound - 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

Propriedades químicas e físicas

• Peso molecular: 180.160 g/mol
• XLogP3: 1.400
• 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