Name: Name:2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-
Brand: Angene
SKU: AG005HIP
Rating: 90 (10 reviews)

2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-

CAS No.:

81017-23-4

Catalog Number:

AG005HIP

Molecular Formula:

C12H8O6

Molecular Weight:

248.1883

Catalog Number:

AG005HIP

Chemical Name:

2H-1-Benzopyran-3-carboxylicacid, 7-(acetyloxy)-2-oxo-

CAS Number:

81017-23-4

Molecular Formula:

C12H8O6

Molecular Weight:

248.1883

MDL Number:

MFCD00037371

IUPAC Name:

7-acetyloxy-2-oxochromene-3-carboxylic acid

InChI:

InChI=1S/C12H8O6/c1-6(13)17-8-3-2-7-4-9(11(14)15)12(16)18-10(7)5-8/h2-5H,1H3,(H,14,15)

InChI Key:

JPSXXVSPZSKYBA-UHFFFAOYSA-N

SMILES:

CC(=O)Oc1ccc2c(c1)oc(=O)c(c2)C(=O)O

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.19g/mol

Monoisotopic Mass:

248.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9