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77421-36-4 | 3-Quinolinol, 6-Methoxy-
CAS No: 77421-36-4 Catalog No: AG00GA6I MDL No:MFCD00552687
Product Description
Catalog Number:
AG00GA6I
Chemical Name:
3-Quinolinol, 6-Methoxy-
CAS Number:
77421-36-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00552687
IUPAC Name:
6-methoxyquinolin-3-ol
InChI:
InChI=1S/C10H9NO2/c1-13-9-2-3-10-7(5-9)4-8(12)6-11-10/h2-6,12H,1H3
InChI Key:
QBNRARYFMZWRGG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(cn2)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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