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731-48-6 | 2-cyano-3,3-diphenyl-prop-2-enamide
CAS No: 731-48-6 Catalog No: AG005FWY MDL No:
Product Description
Catalog Number:
AG005FWY
Chemical Name:
2-cyano-3,3-diphenyl-prop-2-enamide
CAS Number:
731-48-6
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
2-cyano-3,3-diphenylprop-2-enamide
InChI:
InChI=1S/C16H12N2O/c17-11-14(16(18)19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19)
InChI Key:
XPQBSIDNBUQWRU-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccccc1)c1ccccc1)C(=O)N
NSC Number:
256416
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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