2-(3-Formylphenyl)acetic acid - ≥97% , CAS No.34956-29-1

CAS: 34956-29-1 Cat. No.: F192907 Peso molecular: 164.16 Número EC: 852-709-7

GRADE & PURITY ≥97%

Synonyms

MFCD20638515 | Z1262512246 | (3-Formyl-phenyl)-acetic acid | 2-(3-Formylphenyl)acetic acid | FT-0737032 | DS-8893 | 2-(3-Formylphenyl)aceticacid | A874811 | 3-formylphenylacetic acid | IQAJOXWTCPIEQQ-UHFFFAOYSA-N | AKOS022188246 | SCHEMBL2388359 | EN300-1

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD20638515 | Z1262512246 | (3-Formyl-phenyl)-acetic acid | 2-(3-Formylphenyl)acetic acid | FT-0737032 | DS-8893 | 2-(3-Formylphenyl)aceticacid | A874811 | 3-formylphenylacetic acid | IQAJOXWTCPIEQQ-UHFFFAOYSA-N | AKOS022188246 | SCHEMBL2388359 | EN300-1

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)C=O)CC(=O)O
• IUPAC Name: 2-(3-formylphenyl)acetic acid
• InChIKey: IQAJOXWTCPIEQQ-UHFFFAOYSA-N
• INCHI: 1S/C9H8O3/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12)
• Isómeros SMILES: C1=CC(=CC(=C1)C=O)CC(=O)O
• Peso molecular: 164.16
• Reaxy-Rn: 2086505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Peso molecular: 164.160 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 177.000
• 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