Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester

Base Information

• Chemical Name: Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester
• CAS No.: 6345-65-9
• Molecular Formula: C12H10O4
• Molecular Weight: 218.2054
• Hs Code.: 2932209090
• NSC Number: 43571
• DSSTox Substance ID: DTXSID80286047
• Nikkaji Number: J2.671.387K
• Wikidata: Q82021633
• ChEMBL ID: CHEMBL1991216
• Mol file: 6345-65-9.mol

Synonyms:6345-65-9;(4-methyl-2-oxochromen-6-yl) acetate;4-methyl-2-oxo-2H-chromen-6-yl acetate;Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester;4-methyl-6-acetoxycumarin;NSC43571;6-(Acetyl)oxy-4-methylcoumarin;CHEMBL1991216;DTXSID80286047;IJNCWCFCIOPZPE-UHFFFAOYSA-N;NSC-43571;STL512389;AKOS000747311;NCI60_004013;4-Methyl-2-oxo-2H-1-benzopyran-6-yl acetate;AG-690/33491038;SR-01000393036;SR-01000393036-1

Chemical Property of Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester

Chemical Property:

• Vapor Pressure: 4.76E-06mmHg at 25°C
• Boiling Point: 382.3°Cat760mmHg
• Flash Point: 198.3°C
• PSA: 56.51000
• Density: 1.263g/cm³
• LogP: 2.02670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)C