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Methyl levulinate

CAT: 1410-M31028Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M31028Size:1 Each
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Description
Methyl levulinate is a natural product from Rauvolfia vomitoria.
CAS Number
624-45-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
130.1
Molecular Formula
C6H10O3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Methyl levulinate

Methyl levulinate is an oxo carboxylic acid.

CAS Number624-45-3
PubChem CID69354
IUPAC Namemethyl 4-oxopentanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP-0.1
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CC(=O)CCC(=O)OC
InChI
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey
UAGJVSRUFNSIHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl levulinate
CAS: 624-45-3
CID: 69354
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
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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CS-BT-00442Methyl Levulinate
HY-N3272R-01Methyl levulinate (Standard)
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AAA53988Ethyl Levulinate
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