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2364-50-3 | Butanamide, 3-methyl-N-phenyl-
CAS No: 2364-50-3 Catalog No: AG002O04 MDL No:MFCD00725500
Product Description
Catalog Number:
AG002O04
Chemical Name:
Butanamide, 3-methyl-N-phenyl-
CAS Number:
2364-50-3
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD00725500
IUPAC Name:
3-methyl-N-phenylbutanamide
InChI:
InChI=1S/C11H15NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChI Key:
WQRPHHIOZYGAMQ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1ccccc1)C
NSC Number:
10040
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Identification of impurities in technical anilofos and their effect on transplanted rice. | Journal of agricultural and food chemistry 20010801 |
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