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7651-82-3 | Isoquinolin-6-ol
CAS No: 7651-82-3 Catalog No: AG003N8R MDL No:MFCD04114860
Product Description
Catalog Number:
AG003N8R
Chemical Name:
Isoquinolin-6-ol
CAS Number:
7651-82-3
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD04114860
IUPAC Name:
isoquinolin-6-ol
InChI:
InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H
InChI Key:
GPVPDRHTRGTSIH-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ccnc2
EC Number:
231-612-8
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Structure activity relationships of new inhibitors of mammalian 2,3-oxidosqualene cyclase designed from isoquinoline derivatives. | Chemical & pharmaceutical bulletin 20020301 |
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