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728951-55-1 | Benzenemethanol,4-(4-isoquinolinyl)-
CAS No: 728951-55-1 Catalog No: AG005ZON MDL No:
Product Description
Catalog Number:
AG005ZON
Chemical Name:
Benzenemethanol,4-(4-isoquinolinyl)-
CAS Number:
728951-55-1
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
(3-isoquinolin-1-ylphenyl)methanol
InChI:
InChI=1S/C16H13NO/c18-11-12-4-3-6-14(10-12)16-15-7-2-1-5-13(15)8-9-17-16/h1-10,18H,11H2
InChI Key:
DBHNUOWVONUFLT-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1nccc2c1cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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