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58794-04-0 | 1-Isoquinolinemethanol, a-methyl-
CAS No: 58794-04-0 Catalog No: AG01AFVC MDL No:MFCD19612134
Product Description
Catalog Number:
AG01AFVC
Chemical Name:
1-Isoquinolinemethanol, a-methyl-
CAS Number:
58794-04-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD19612134
IUPAC Name:
1-isoquinolin-1-ylethanol
InChI:
InChI=1S/C11H11NO/c1-8(13)11-10-5-3-2-4-9(10)6-7-12-11/h2-8,13H,1H3
InChI Key:
KVPWEPKQZVFAMW-UHFFFAOYSA-N
SMILES:
CC(c1nccc2c1cccc2)O
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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