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Propyl 2-oxopropanoate

CAT: 1731-GT HW 3679-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-GT HW 3679-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20279-43-0
MDL Number
MFCD24688080
Purity
0.95
Smiles
CCCOC (=O) C (C) =O
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

Propyl pyruvate
CAS Number20279-43-0
PubChem CID523918
IUPAC Namepropyl 2-oxopropanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CCCOC(=O)C(=O)C
InChI
InChI=1S/C6H10O3/c1-3-4-9-6(8)5(2)7/h3-4H2,1-2H3
InChIKey
ILPVOWZUBFRIAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl pyruvate
CAS: 20279-43-0
CID: 523918
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.9
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