Home Other Building Blocks 2-Acetylbutyrolactone

2-Acetylbutyrolactone

CAS No.:
517-23-7
Catalog Number:
AG00332N
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$13
- +
500g
99%(GC)
In Stock USA
United States
$129
- +
Product Description
Catalog Number:
AG00332N
Chemical Name:
2-Acetylbutyrolactone
CAS Number:
517-23-7
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD00005394
IUPAC Name:
3-acetyloxolan-2-one
InChI:
InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
InChI Key:
OMQHDIHZSDEIFH-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCOC1=O
EC Number:
208-235-2
NSC Number:
2019
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control. International journal of molecular sciences 20110101
A blue-emitting organic compound 9-hydroxyl-3-hydroxyethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one: Synthesis, crystal structure and luminescent properties. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100901
A simple hydrogen-bonded chain in (3Z)-3-{1-[(5-phenyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3Z)-3-{1-[(5-methyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one-6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one (1/1). Acta crystallographica. Section C, Crystal structure communications 20100101
Complexes of 2-acetyl-gamma-butyrolactone and 2-furancarbaldehyde thiosemicarbazones: antibacterial and antifungal activity. Journal of inorganic biochemistry 20090101
Application of 2-acetylbutyrolactone to spectrofluorimetry: fluorescence properties of Schiff bases derived from 2-acetylbutyrolactone and spectrofluorimetric determination of primary amine-containing compounds. Journal of pharmaceutical and biomedical analysis 20060318
An efficient synthesis of endo,exo-furofuranone derivatives. Chemical communications (Cambridge, England) 20020921
Lactone enol cation-radicals: gas-phase generation, structure, energetics, and reactivity of the ionized enol of butane-4-lactone. Journal of mass spectrometry : JMS 20020801
Properties