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Acetoacetamide

CAS No.:
5977-14-0
Catalog Number:
AG0034FF
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$25
- +
100g
96%
In Stock USA
United States
$63
- +
500g
96%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0034FF
Chemical Name:
Acetoacetamide
CAS Number:
5977-14-0
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
MDL Number:
MFCD00025528
IUPAC Name:
3-oxobutanamide
InChI:
InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
InChI Key:
GCPWJFKTWGFEHH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)N
EC Number:
227-774-4
UNII:
6O9U7CFY0T
NSC Number:
632231
Properties
Complexity:
97.9  
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:
2  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Organic synthesis using (diacetoxyiodo)benzene (DIB): Unexpected and novel oxidation of 3-oxo-butanamides to 2,2-dihalo-N-phenylacetamides. Beilstein journal of organic chemistry 20120101
4-Nitro-N-(4-nitro-benzo-yl)benzamide. Acta crystallographica. Section E, Structure reports online 20110501
Complete genome sequence of Ilyobacter polytropus type strain (CuHbu1). Standards in genomic sciences 20101231
3-Acetyl-5-methyl-1-(4-methyl-phen-yl)-1H-pyrazole-4-carboxamide. Acta crystallographica. Section E, Structure reports online 20101101
Dimerization of acetoacetamide leading to 5-carbamoyl-4,6-dimethyl-2-pyridone. Journal of oleo science 20080101
4-Methyl-1-phenyl-quinolin-2(1H)-one. Acta crystallographica. Section E, Structure reports online 20080101
Tautomeric and conformational properties of acetoacetamide: electron diffraction and quantum chemical study. The Journal of organic chemistry 20060707
Properties