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2-Acetylbutyrolactone

CAT: 0926-FA17111-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FA17111-01Size:0.05 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
517-23-7
Synonyms
3-Acetyldihydro-2 (3H) -furanone;3-Acetyldihydrofuran-2-one; α-Acetyl-γ-butyrolactone
MDL Number
MFCD00005394
Smiles
CC (=O) C1CCOC1=O
Molecular Formula
C6H8O3
Molecular Weight
128.13 g/mol
Controlled
No

Chemical Information

2-Acetylbutyrolactone

3-Acetyldihydro-2(3H)-furanone is a gamma-lactone.

CAS Number517-23-7
PubChem CID10601
IUPAC Name3-acetyloxolan-2-one
Molecular FormulaC6H8O3
Molecular Weight128.13
XLogP0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity150
SMILES
CC(=O)C1CCOC1=O
InChI
InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
InChIKey
OMQHDIHZSDEIFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylbutyrolactone
CAS: 517-23-7
CID: 10601
Formula: C6H8O3
MW: 128.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.13
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass128.047344113
Monoisotopic Mass128.047344113
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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