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88239-07-0 | 1,3-Dioxolane-4-carbonitrile, 5-methyl-2,2-diphenyl-, trans-
CAS No: 88239-07-0 Catalog No: AG004B1R MDL No:
Product Description
Catalog Number:
AG004B1R
Chemical Name:
1,3-Dioxolane-4-carbonitrile, 5-methyl-2,2-diphenyl-, trans-
CAS Number:
88239-07-0
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
(4S,5S)-5-methyl-2,2-diphenyl-1,3-dioxolane-4-carbonitrile
InChI:
InChI=1S/C17H15NO2/c1-13-16(12-18)20-17(19-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,1H3/t13-,16-/m0/s1
InChI Key:
XWZFQKOGRCLJIQ-BBRMVZONSA-N
SMILES:
N#C[C@@H]1OC(O[C@H]1C)(c1ccccc1)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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