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Home > Nitro Compounds > 19037-68-4
19037-68-4 | 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-6-nitro-
CAS No: 19037-68-4 Catalog No: AG002EIC MDL No:
Product Description
Catalog Number:
AG002EIC
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-6-nitro-
CAS Number:
19037-68-4
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
7-hydroxy-4-methyl-6-nitrochromen-2-one
InChI:
InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3
InChI Key:
DPLGBPYLXGFDJY-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc(c(c2)[N+](=O)[O-])O
NSC Number:
382377
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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 |
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