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158654-76-3 | 7-Isoquinolinemethanol
CAS No: 158654-76-3 Catalog No: AG001QQ0 MDL No:MFCD11226917
Product Description
Catalog Number:
AG001QQ0
Chemical Name:
7-Isoquinolinemethanol
CAS Number:
158654-76-3
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11226917
IUPAC Name:
isoquinolin-7-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-6,12H,7H2
InChI Key:
VLONTUPZTAEOIH-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)cncc2
Properties
Complexity:
149
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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