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1135-21-3 | Benzeneacetamide, N-(2-cyanoethyl)-
CAS No: 1135-21-3 Catalog No: AG0008SG MDL No:
Product Description
Catalog Number:
AG0008SG
Chemical Name:
Benzeneacetamide, N-(2-cyanoethyl)-
CAS Number:
1135-21-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
N-(2-cyanoethyl)-2-phenylacetamide
InChI:
InChI=1S/C11H12N2O/c12-7-4-8-13-11(14)9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,13,14)
InChI Key:
SRJDBVVMSWTABZ-UHFFFAOYSA-N
SMILES:
N#CCCNC(=O)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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