4-(2-Carboxyvinyl)benzoic acid - ≥95% , CAS No.19675-63-9

CAS: 19675-63-9 Cat. No.: C191866 Summenformel: C₁₀H₈O₄ Molekulargewicht: 192.17 EG-Nummer: 243-220-4

GRADE & PURITY ≥95%

Synonyms

4-[(E)-2-carboxyethenyl]benzoic acid | AKOS015891150 | Q27093193 | SCHEMBL70240 | MFCD00016543 | (e)-4-(2-carboxyvinyl)benzoicacid | 4-Carboxycinnamic acid, predominantly trans | 4-CARBOXYCINNAMIC ACID | p-carboxycinnamic acid | Benzoic acid,4-(2-carboxye

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-[(E)-2-carboxyethenyl]benzoic acid | AKOS015891150 | Q27093193 | SCHEMBL70240 | MFCD00016543 | (e)-4-(2-carboxyvinyl)benzoicacid | 4-Carboxycinnamic acid, predominantly trans | 4-CARBOXYCINNAMIC ACID | p-carboxycinnamic acid | Benzoic acid,4-(2-carboxye

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488191176

Kanonisches Lächeln

C1=CC(=CC=C1C=CC(=O)O)C(=O)O

IUPAC Name

4-[(E)-2-carboxyethenyl]benzoic acid

InChIKey

HAEJSGLKJYIYTB-ZZXKWVIFSA-N

INCHI

1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+

Isomere SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C(=O)O

Molekulargewicht

192.17

Reaxy-Rn

2614866

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Benzoic acids Styrenes Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Styrene - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 192.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.042 Da
• Monoisotopic Mass: 192.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 19675-63-9, the molecular formula is C10H8O4, and the molecular weight is 192.17 g/mol. InChIKey HAEJSGLKJYIYTB-ZZXKWVIFSA-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.