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113715-23-4 | Propanamide, N-(4-cyanophenyl)-2-methyl-
CAS No: 113715-23-4 Catalog No: AG0009FH MDL No:MFCD09040418
Product Description
Catalog Number:
AG0009FH
Chemical Name:
Propanamide, N-(4-cyanophenyl)-2-methyl-
CAS Number:
113715-23-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD09040418
IUPAC Name:
N-(4-cyanophenyl)-2-methylpropanamide
InChI:
InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3,(H,13,14)
InChI Key:
WQZFOMXBTXLFNS-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1ccc(cc1)C#N)C
Properties
Complexity:
243
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:
2.4
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