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13209-77-3 | 2H-1-Benzopyran-3-carboxylic acid, 7-(acetyloxy)-2-oxo-, ethyl ester
CAS No: 13209-77-3 Catalog No: AG00106Y MDL No:
Product Description
Catalog Number:
AG00106Y
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-(acetyloxy)-2-oxo-, ethyl ester
CAS Number:
13209-77-3
Molecular Formula:
C14H12O6
Molecular Weight:
276.2415
IUPAC Name:
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C14H12O6/c1-3-18-13(16)11-6-9-4-5-10(19-8(2)15)7-12(9)20-14(11)17/h4-7H,3H2,1-2H3
InChI Key:
SKVJGNVETVRDTL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccc(cc2oc1=O)OC(=O)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.063g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.244g/mol
Monoisotopic Mass:
276.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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