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80544-75-8 | 2-Cyano-2-phenylbutanamide
CAS No: 80544-75-8 Catalog No: AG005KMO MDL No:
Product Description
Catalog Number:
AG005KMO
Chemical Name:
2-Cyano-2-phenylbutanamide
CAS Number:
80544-75-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2-cyano-2-phenylbutanamide
InChI:
InChI=1S/C11H12N2O/c1-2-11(8-12,10(13)14)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H2,13,14)
InChI Key:
QKSRTQXCXWMMLG-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(C(=O)N)C#N
NSC Number:
85166
Properties
Complexity:
260
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:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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