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87783-69-5 | 2-Propenamide, N-(cyanomethyl)-3-phenyl-
CAS No: 87783-69-5 Catalog No: AG004FA9 MDL No:
Product Description
Catalog Number:
AG004FA9
Chemical Name:
2-Propenamide, N-(cyanomethyl)-3-phenyl-
CAS Number:
87783-69-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
N-(cyanomethyl)-3-phenylprop-2-enamide
InChI:
InChI=1S/C11H10N2O/c12-8-9-13-11(14)7-6-10-4-2-1-3-5-10/h1-7H,9H2,(H,13,14)
InChI Key:
FXSZGZHNKPZKKM-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)C=Cc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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