Benzallactic acid

Base Information

• Chemical Name: Benzallactic acid
• CAS No.: 2050-18-2
• Molecular Formula: C10H10O3
• Molecular Weight: 178.18
• NSC Number: 54184
• Nikkaji Number: J1.881.363G,J7.866B
• ChEMBL ID: CHEMBL3247390
• Mol file: 2050-18-2.mol

Synonyms:Benzallactic acid;2050-18-2;NSC54184;2-hydroxy-4-phenylbut-3-enoic acid;SCHEMBL1618939;CHEMBL3247390;NSC-54184;129029-61-4;(3E)-2-Hydroxy-4-phenyl-3-butenoic acid;EN300-1870591

Chemical Property of Benzallactic acid

Chemical Property:

• Vapor Pressure: 5.16E-07mmHg at 25°C
• Boiling Point: 396.9°C at 760 mmHg
• Flash Point: 208°C
• PSA: 57.53000
• Density: 1.277g/cm³
• LogP: 1.14530
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC(C(=O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(C(=O)O)O

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