Name: Name:2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-nitro-
Brand: Angene
SKU: AG002EIB
Rating: 90 (10 reviews)

2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-nitro-

CAS No.:

19037-69-5

Catalog Number:

AG002EIB

Molecular Formula:

C10H7NO5

Molecular Weight:

221.1663

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Product Description

Catalog Number:

AG002EIB

Chemical Name:

2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-8-nitro-

CAS Number:

19037-69-5

Molecular Formula:

C10H7NO5

Molecular Weight:

221.1663

MDL Number:

MFCD00051824

IUPAC Name:

7-hydroxy-4-methyl-8-nitrochromen-2-one

InChI:

InChI=1S/C10H7NO5/c1-5-4-8(13)16-10-6(5)2-3-7(12)9(10)11(14)15/h2-4,12H,1H3

InChI Key:

BGUBUSIGKOWDPO-UHFFFAOYSA-N

SMILES:

O=c1cc(C)c2c(o1)c([N+](=O)[O-])c(cc2)O

NSC Number:

382373

Properties

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.168g/mol

Monoisotopic Mass:

221.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships.	Journal of medicinal chemistry 20080227

Properties