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2415-85-2 | N-(4-Methylphenyl)-3-oxobutanamide
CAS No: 2415-85-2 Catalog No: AG0035AK MDL No:MFCD00043931
Product Description
Catalog Number:
AG0035AK
Chemical Name:
N-(4-Methylphenyl)-3-oxobutanamide
CAS Number:
2415-85-2
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD00043931
IUPAC Name:
N-(4-methylphenyl)-3-oxobutanamide
InChI:
InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key:
MJGLMEMIYDUEHA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)CC(=O)C
EC Number:
219-327-7
UNII:
G147166Y69
NSC Number:
50631
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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