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24522-42-7 | Acetamide, 2-cyano-N-(3,4-dimethylphenyl)-
CAS No: 24522-42-7 Catalog No: AG002OEK MDL No:MFCD01344107
Product Description
Catalog Number:
AG002OEK
Chemical Name:
Acetamide, 2-cyano-N-(3,4-dimethylphenyl)-
CAS Number:
24522-42-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD01344107
IUPAC Name:
2-cyano-N-(3,4-dimethylphenyl)acetamide
InChI:
InChI=1S/C11H12N2O/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChI Key:
IOVXWSZVPOVPHF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(c(c1)C)C
Properties
Complexity:
253
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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