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64202-47-7 | 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-4,6-diphenyl-, cis-
CAS No: 64202-47-7 Catalog No: AG00H8P3 MDL No:
Product Description
Catalog Number:
AG00H8P3
Chemical Name:
3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-4,6-diphenyl-, cis-
CAS Number:
64202-47-7
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
(3R,4S)-2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C18H14N2O/c19-12-16-15(13-7-3-1-4-8-13)11-17(20-18(16)21)14-9-5-2-6-10-14/h1-11,15-16H,(H,20,21)/t15-,16+/m1/s1
InChI Key:
ZYDHIVUWAYWSKJ-CVEARBPZSA-N
SMILES:
N#C[C@@H]1C(=O)NC(=C[C@@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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