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Home > Quinoline > 123438-49-3
123438-49-3 | 6,7-Isoquinolinediol, 1-methyl-
CAS No: 123438-49-3 Catalog No: AG000KKF MDL No:
Product Description
Catalog Number:
AG000KKF
Chemical Name:
6,7-Isoquinolinediol, 1-methyl-
CAS Number:
123438-49-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
1-methylisoquinoline-6,7-diol
InChI:
InChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
InChI Key:
ZHJMCJIZYGTPMH-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)ccnc2C
Properties
Complexity:
186
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:
2
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Simple isoquinoline and benzylisoquinoline alkaloids as potential antimicrobial, antimalarial, cytotoxic, and anti-HIV agents. | Bioorganic & medicinal chemistry 20011101 |
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