4H-1-Benzopyran-2-carboxylic acid, 3-(p-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester

Base Information

• Chemical Name: 4H-1-Benzopyran-2-carboxylic acid, 3-(p-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester
• CAS No.: 13004-40-5
• Molecular Formula: C18H13 Cl O6
• Molecular Weight: 360.7452
• Hs Code.: 2918990090
• UNII: SVG4EX6X7S
• DSSTox Substance ID: DTXSID80156317
• Nikkaji Number: J132.086F
• Wikidata: Q83024366
• Mol file: 13004-40-5.mol

Synonyms:BRN 1330473;4H-1-Benzopyran-2-carboxylic acid, 3-(p-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester;SVG4EX6X7S;13004-40-5;3-(p-Chlorophenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester;Ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-carboxylate;UNII-SVG4EX6X7S;C18H13ClO6;C18-H13-Cl-O6;DTXSID80156317;ethyl 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxochromene-2-carboxylate;LS-39139;4H-1-Benzopyran-2-carboxylic acid, 3-(4-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester

Chemical Property of 4H-1-Benzopyran-2-carboxylic acid, 3-(p-chlorophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester

Chemical Property:

• Vapor Pressure: 3.12E-13mmHg at 25°C
• Boiling Point: 561.9°Cat760mmHg
• Flash Point: 293.6°C
• PSA: 96.97000
• Density: 1.501g/cm³
• LogP: 3.70130
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 360.0400658
• Heavy Atom Count: 25
• Complexity: 566

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)Cl