5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-

Base Information

• Chemical Name: 5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-
• CAS No.: 74038-57-6
• Molecular Formula: C12H11NO5
• Molecular Weight: 249.2194
• NSC Number: 81134
• UNII: 7ZEB1F75L8
• Nikkaji Number: J77.664E
• Wikidata: Q76305021
• Mol file: 74038-57-6.mol

Synonyms:5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-;74038-57-6;6-(m-Nitrophenyl)-4-oxo-5-hexenoic acid;5-Hexenoic acid, 6-(3-nitrophenyl)-4-oxo-;NSC 81134;(E)-6-(3-nitrophenyl)-4-oxohex-5-enoic acid;BRN 3344617;7ZEB1F75L8;NSC-81134;6-(3-Nitrophenyl)-4-oxo-5-hexenoic acid;3-10-00-03169 (Beilstein Handbook Reference);NSC81134;UNII-7ZEB1F75L8;LS-75586;.DELTA.-HEXENOIC ACID, .GAMMA.-KETO-.EPSILON.-(M-NITROPHENYL)-

Chemical Property of 5-HEXENOIC ACID, 6-(m-NITROPHENYL)-4-OXO-

Chemical Property:

• Vapor Pressure: 4.48E-10mmHg at 25°C
• Boiling Point: 481.3°Cat760mmHg
• Flash Point: 206.7°C
• PSA: 100.19000
• Density: 1.358g/cm³
• LogP: 2.56510
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 249.06372245
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)CCC(=O)O
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)CCC(=O)O