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28694-91-9 | Acetamide, N-[4-(1-cyanoethyl)phenyl]-
CAS No: 28694-91-9 Catalog No: AG002W3U MDL No:
Product Description
Catalog Number:
AG002W3U
Chemical Name:
Acetamide, N-[4-(1-cyanoethyl)phenyl]-
CAS Number:
28694-91-9
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
N-[4-(1-cyanoethyl)phenyl]acetamide
InChI:
InChI=1S/C11H12N2O/c1-8(7-12)10-3-5-11(6-4-10)13-9(2)14/h3-6,8H,1-2H3,(H,13,14)
InChI Key:
ROQNRAHSLXIIER-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)NC(=O)C)C
Properties
Complexity:
245
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:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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