Name: Name:2H-1-Benzopyran-3-carboxylic acid, 7-(acetyloxy)-2-oxo-, ethyl ester
Brand: Angene
SKU: AG00106Y
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carboxylic acid, 7-(acetyloxy)-2-oxo-, ethyl ester

CAS No.:

13209-77-3

Catalog Number:

AG00106Y

Molecular Formula:

C14H12O6

Molecular Weight:

276.2415

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

MDL Number:

MFCD00037372

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

Complexity:

453

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.244g/mol

Monoisotopic Mass:

276.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1