CAS 10242-13-4 | 2H-1-Benzopyran-3-carboxylic acid, 6-methyl-2-oxo- | CAS Number 10242-13-4

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10242-13-4 | 2H-1-Benzopyran-3-carboxylic acid, 6-methyl-2-oxo-

CAS No: 10242-13-4 Catalog No: AG0007FD MDL No:

Product Description

Catalog Number:

AG0007FD

Chemical Name:

2H-1-Benzopyran-3-carboxylic acid, 6-methyl-2-oxo-

CAS Number:

10242-13-4

Molecular Formula:

C11H8O4

Molecular Weight:

204.1788

IUPAC Name:

6-methyl-2-oxochromene-3-carboxylic acid

InChI:

InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)

InChI Key:

FJICLQQBBFWGMZ-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)cc(c(=O)o2)C(=O)O

Properties

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.181g/mol

Monoisotopic Mass:

204.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.	Journal of medicinal chemistry 20100114