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methyl 2-oxohexanoate

CAT: 0572-TRC-B497998-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B497998-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6395-83-1
Hazard Statement
Combustible liquid and vapour.
Smiles
CCCCC(=O)C(=O)OC
Molecular Formula
C7H12O3
Molecular Weight
144.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 2-oxohexanoate
CAS Number6395-83-1
PubChem CID545374
IUPAC Namemethyl 2-oxohexanoate
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP1.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
CCCCC(=O)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-3-4-5-6(8)7(9)10-2/h3-5H2,1-2H3
InChIKey
GJIQBFATAJWGCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-oxohexanoate
CAS: 6395-83-1
CID: 545374
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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Alternative Products

CatalogName
GAA39583-01Methyl 2-oxohexanoate
JH248469Methyl 3-oxohexanoate
OR52748-01Methyl 5-oxohexanoate
sc-211873Methyl 6-Oxohexanoate
TCA03927-01Methyl 2-ethyl-3-oxohexanoate
OR1013837-01Methyl 4-Oxohexanoate
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