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Levulinic acid

CAT: 0013-GTR19169636-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19169636-03Size:100 g
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Description
Levulinic acid (4-Oxovaleric acid) is a cellulose-derived platform chemical. It serves as a key precursor for biofuel synthesis, such as ethyl levulinate, and is utilized in research on green chemistry, metabolic pathways, and as a building block for various in vitro biochemical applications.
CAS Number
123-76-2
Product Name Alternative
β-Acetylpropionic acid, 4-Oxovaleric acid, b-Acetylpropionic acid, beta-Acetylpropionic acid, inhibit, NSC 3716, NSC3716, NSC-3716, Inhibitor, Laevulinic acid, Levulinic acid, EndogenousMetabolite, Endogenous Metabolite
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.76% (May vary between batches)
Solubility
H2O:100 mg/mL (861.18 mM) ; DMSO:Soluble
Smiles
CC (=O) CCC (O) =O
Molecular Formula
C5H8O3
Molecular Weight
116.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Levulinic Acid

4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is an oxopentanoic acid and a straight-chain saturated fatty acid. It is a conjugate acid of a 4-oxopentanoate.

CAS Number123-76-2
PubChem CID11579
IUPAC Name4-oxopentanoic acid
Molecular FormulaC5H8O3
Molecular Weight116.11
XLogP-0.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity106
SMILES
CC(=O)CCC(=O)O
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
JOOXCMJARBKPKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Levulinic Acid
CAS: 123-76-2
CID: 11579
Formula: C5H8O3
MW: 116.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.11
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass116.047344113
Monoisotopic Mass116.047344113
Topological Polar Surface Area54.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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