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76518-57-5 | Isoquinolin-5-ylmethanol
CAS No: 76518-57-5 Catalog No: AG005BLE MDL No:MFCD03840599
Product Description
Catalog Number:
AG005BLE
Chemical Name:
Isoquinolin-5-ylmethanol
CAS Number:
76518-57-5
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD03840599
IUPAC Name:
isoquinolin-5-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-6,12H,7H2
InChI Key:
HSPKIXPRSRGOQK-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1ccnc2
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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