4-Hydroxycrotonic acid

Base Information

• Chemical Name: 4-Hydroxycrotonic acid
• CAS No.: 4013-24-5
• Molecular Formula: C4H6 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901027169
• Nikkaji Number: J549.025A
• Wikipedia: T-HCA
• Wikidata: Q7667802
• Metabolomics Workbench ID: 1514
• ChEMBL ID: CHEMBL507046
• Mol file: 4013-24-5.mol

Synonyms:4-hydroxy-2-butenoic acid;4-hydroxy-2-butenoic acid, (E)-isomer;4-hydroxy-2-butenoic acid, (Z)-isomer;4-hydroxy-2-butenoic acid, sodium salt, (E)-isomer;4-hydroxycrotonic acid;gamma-hydroxycrotonic acid

Chemical Property of 4-Hydroxycrotonic acid

Chemical Property:

• Vapor Pressure: 6.49E-06mmHg at 25°C
• Boiling Point: 338.7°Cat760mmHg
• Flash Point: 172.9°C
• Density: 1.271g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 102.031694049
• Heavy Atom Count: 7
• Complexity: 84.9

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C=CC(=O)O)O
• Isomeric SMILES: C(/C=C/C(=O)O)O