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30836-61-4 | 2-Quinolinemethanol, α,α-diphenyl-
CAS No: 30836-61-4 Catalog No: AG0031GV MDL No:
Product Description
Catalog Number:
AG0031GV
Chemical Name:
2-Quinolinemethanol, α,α-diphenyl-
CAS Number:
30836-61-4
Molecular Formula:
C22H17NO
Molecular Weight:
311.3765
IUPAC Name:
diphenyl(quinolin-2-yl)methanol
InChI:
InChI=1S/C22H17NO/c24-22(18-10-3-1-4-11-18,19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)23-21/h1-16,24H
InChI Key:
MSEVIABBGAUNIM-UHFFFAOYSA-N
SMILES:
OC(c1ccc2c(n1)cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.384g/mol
Monoisotopic Mass:
311.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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