2-Hydroxy-3-carboxybenzylidenepyruvic acid

Base Information

• Chemical Name: 2-Hydroxy-3-carboxybenzylidenepyruvic acid
• CAS No.: 162794-83-4
• Molecular Formula: C11H8 O6
• Molecular Weight: 236.1776
• DSSTox Substance ID: DTXSID40429473
• Nikkaji Number: J2.787.873C
• Wikidata: Q27109229
• Metabolomics Workbench ID: 53711
• Mol file: 162794-83-4.mol

Synonyms:2-hydroxy-3-carboxybenzylidenepyruvic acid;162794-83-4;2-Hydroxy-3-carboxybenzalpyruvate;2-Hydroxy-3-carboxybenzalpyruvic acid;3-carboxy-2-hydroxybenzyalpyruvic acid;3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acid;3-carboxy-2-hydroxybenzylidenepyruvic acid;3-[(E)-3-carboxy-3-oxoprop-1-enyl]-2-hydroxybenzoic acid;3-[(1E)-3-carboxy-3-oxoprop-1-en-1-yl]-2-hydroxybenzoic acid;CHEBI:19602;DTXSID40429473;Q27109229

Chemical Property of 2-Hydroxy-3-carboxybenzylidenepyruvic acid

Chemical Property:

• Vapor Pressure: 4.06E-10mmHg at 25°C
• Boiling Point: 482.4°C at 760 mmHg
• Flash Point: 259.7°C
• Density: 1.578g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 236.03208797
• Heavy Atom Count: 17
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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