CAS 2373-31-1 | 6-Hydroxy-4-methyl-2H-chromen-2-one | CAS Number 2373-31-1

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2373-31-1 | 6-Hydroxy-4-methyl-2H-chromen-2-one

CAS No: 2373-31-1 Catalog No: AG003N8K MDL No:MFCD00016967

Product Description

Catalog Number:

AG003N8K

Chemical Name:

6-Hydroxy-4-methyl-2H-chromen-2-one

CAS Number:

2373-31-1

Molecular Formula:

C10H8O3

Molecular Weight:

176.1687

MDL Number:

MFCD00016967

IUPAC Name:

6-hydroxy-4-methylchromen-2-one

InChI:

InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3

InChI Key:

IRUHWRSITUYICV-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)c(C)cc(=O)o2

EC Number:

219-146-3

Properties

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.171g/mol

Monoisotopic Mass:

176.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.	Bioorganic & medicinal chemistry 20120915
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Structural insights into hydroxycoumarin-induced apoptosis in U-937 cells.	Bioorganic & medicinal chemistry 20080301