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27311-63-3 | 1-Isoquinolinemethanol
CAS No: 27311-63-3 Catalog No: AG00I567 MDL No:MFCD03086097
Product Description
Catalog Number:
AG00I567
Chemical Name:
1-Isoquinolinemethanol
CAS Number:
27311-63-3
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD03086097
IUPAC Name:
isoquinolin-1-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
InChI Key:
HQABEHZXAJHCLV-UHFFFAOYSA-N
SMILES:
OCc1nccc2c1cccc2
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:
1.3
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