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10174-89-7 | 1-Isoquinolinemethanol, α-[4-(phenylmethoxy)phenyl]-
CAS No: 10174-89-7 Catalog No: AG0005DA MDL No:
Product Description
Catalog Number:
AG0005DA
Chemical Name:
1-Isoquinolinemethanol, α-[4-(phenylmethoxy)phenyl]-
CAS Number:
10174-89-7
Molecular Formula:
C23H19NO2
Molecular Weight:
341.4025
IUPAC Name:
isoquinolin-1-yl-(4-phenylmethoxyphenyl)methanol
InChI:
InChI=1S/C23H19NO2/c25-23(22-21-9-5-4-8-18(21)14-15-24-22)19-10-12-20(13-11-19)26-16-17-6-2-1-3-7-17/h1-15,23,25H,16H2
InChI Key:
WJOMBXXKPXFBPV-UHFFFAOYSA-N
SMILES:
OC(c1nccc2c1cccc2)c1ccc(cc1)OCc1ccccc1
NSC Number:
142993
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.41g/mol
Monoisotopic Mass:
341.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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