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27719-81-9 | Butanamide, 4-oxo-
CAS No: 27719-81-9 Catalog No: AG002UKL MDL No:
Product Description
Catalog Number:
AG002UKL
Chemical Name:
Butanamide, 4-oxo-
CAS Number:
27719-81-9
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
IUPAC Name:
4-oxobutanamide
InChI:
InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h3H,1-2H2,(H2,5,7)
InChI Key:
WUOVJZPIPLAQBE-UHFFFAOYSA-N
SMILES:
O=CCCC(=O)N
EC Number:
464-950-1
Properties
Complexity:
79.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Aldehyde Dehydrogenases in Arabidopsis thaliana: Biochemical Requirements, Metabolic Pathways, and Functional Analysis. | Frontiers in plant science 20110101 |
| Highly selective rhodium-catalyzed conjugate addition reactions of 4-oxobutenamides. | The Journal of organic chemistry 20071109 |
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