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73048-60-9 | (isoquinolin-4-yl)methanol
CAS No: 73048-60-9 Catalog No: AG005YQ4 MDL No:MFCD06227777
Product Description
Catalog Number:
AG005YQ4
Chemical Name:
(isoquinolin-4-yl)methanol
CAS Number:
73048-60-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD06227777
IUPAC Name:
isoquinolin-4-ylmethanol
InChI:
InChI=1S/C10H9NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-6,12H,7H2
InChI Key:
QWTIYWBQFLATTN-UHFFFAOYSA-N
SMILES:
OCc1cncc2c1cccc2
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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