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827309-93-3 | 8-Isoquinolinol, 2-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS No: 827309-93-3 Catalog No: AG0058R7 MDL No:
Product Description
Catalog Number:
AG0058R7
Chemical Name:
8-Isoquinolinol, 2-(2,2-diphenylethyl)-1,2,3,4-tetrahydro-
CAS Number:
827309-93-3
Molecular Formula:
C23H23NO
Molecular Weight:
329.4348
IUPAC Name:
2-(2,2-diphenylethyl)-3,4-dihydro-1H-isoquinolin-8-ol
InChI:
InChI=1S/C23H23NO/c25-23-13-7-12-20-14-15-24(17-22(20)23)16-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21,25H,14-17H2
InChI Key:
PBISILKPDQUPBC-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1CN(CC2)CC(c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.443g/mol
Monoisotopic Mass:
329.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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