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1823904-12-6 | 3-Isoquinolinemethanol, 1-methyl-
CAS No: 1823904-12-6 Catalog No: AG0023SJ MDL No:
Product Description
Catalog Number:
AG0023SJ
Chemical Name:
3-Isoquinolinemethanol, 1-methyl-
CAS Number:
1823904-12-6
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
(1-methylisoquinolin-3-yl)methanol
InChI:
InChI=1S/C11H11NO/c1-8-11-5-3-2-4-9(11)6-10(7-13)12-8/h2-6,13H,7H2,1H3
InChI Key:
GOIFOORQERIYLX-UHFFFAOYSA-N
SMILES:
OCc1cc2ccccc2c(n1)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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