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4053-33-2 | 5-methylquinolin-2(1H)-one
CAS No: 4053-33-2 Catalog No: AG00CKJV MDL No:
Product Description
Catalog Number:
AG00CKJV
Chemical Name:
5-methylquinolin-2(1H)-one
CAS Number:
4053-33-2
IUPAC Name:
5-methyl-1H-quinolin-2-one
InChI:
InChI=1S/C10H9NO/c1-7-3-2-4-9-8(7)5-6-10(12)11-9/h2-6H,1H3,(H,11,12)
InChI Key:
YPDAYWNKUYQDTJ-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495). | ChemMedChem 20111104 |
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