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16248-67-2 | Benzenepropanenitrile, β-hydroxy-α,β-diphenyl-
CAS No: 16248-67-2 Catalog No: AG001T6W MDL No:
Product Description
Catalog Number:
AG001T6W
Chemical Name:
Benzenepropanenitrile, β-hydroxy-α,β-diphenyl-
CAS Number:
16248-67-2
Molecular Formula:
C21H17NO
Molecular Weight:
299.3658
IUPAC Name:
3-hydroxy-2,3,3-triphenylpropanenitrile
InChI:
InChI=1S/C21H17NO/c22-16-20(17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H
InChI Key:
AQROMKCCQRTJFM-UHFFFAOYSA-N
SMILES:
N#CC(C(c1ccccc1)(c1ccccc1)O)c1ccccc1
NSC Number:
103110
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.373g/mol
Monoisotopic Mass:
299.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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