Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate

Base Information

• Chemical Name: Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate
• CAS No.: 151646-59-2
• Molecular Formula: C11H9 N O6
• Molecular Weight: 251.19
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10378045
• Nikkaji Number: J2.073.335G
• Mol file: 151646-59-2.mol

Synonyms:methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate;151646-59-2;DTXSID10378045;NCGPYGZQDNIHJP-UHFFFAOYSA-N;AKOS030241880;2-Hydroxy-4-oxo-4-(3-nitrophenyl)-2-butenoic acid methyl ester

Chemical Property of Methyl 4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoate

Chemical Property:

• Vapor Pressure: 8.46E-08mmHg at 25°C
• Boiling Point: 419.8°Cat760mmHg
• Flash Point: 207.7°C
• PSA: 109.42000
• Density: 1.421g/cm³
• LogP: 1.75900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 251.04298701
• Heavy Atom Count: 18
• Complexity: 384

Purity/Quality:

98% ^*data from raw suppliers

4-HYDROXY-4-(3-NITRO-PHENYL)-2-OXO-BUT-3-ENOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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