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113604-07-2 | Acetamide, 2-cyano-N-(2,5-dimethoxyphenyl)-
CAS No: 113604-07-2 Catalog No: AG00093Q MDL No:MFCD03382982
Product Description
Catalog Number:
AG00093Q
Chemical Name:
Acetamide, 2-cyano-N-(2,5-dimethoxyphenyl)-
CAS Number:
113604-07-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD03382982
IUPAC Name:
2-cyano-N-(2,5-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C11H12N2O3/c1-15-8-3-4-10(16-2)9(7-8)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChI Key:
ZKFAQZPGKBJSKW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)CC#N)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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