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Methyl 11-Oxoundecanoate

CAT: 0572-TRC-M206685-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M206685-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1931-65-3
Hazard Statement
No Data Available
Smiles
COC(=O)CCCCCCCCCC=O
Molecular Formula
C12 H22 O3
Molecular Weight
214.301
InChI
InChI=1S/C12H22O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h11H,2-10H2,1H3
Additionnal Information
IUPAC name: methyl 11-oxoundecanoate
Shipping Conditions
Room Temperature

Chemical Information

Undecanoic acid, 11-oxo-, methyl ester
CAS Number1931-65-3
PubChem CID11020258
IUPAC Namemethyl 11-oxoundecanoate
Molecular FormulaC12H22O3
Molecular Weight214.30
XLogP2.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity166
SMILES
COC(=O)CCCCCCCCCC=O
InChI
InChI=1S/C12H22O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h11H,2-10H2,1H3
InChIKey
RHGDHBUHYHTCSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Undecanoic acid, 11-oxo-, methyl ester
CAS: 1931-65-3
CID: 11020258
Formula: C12H22O3
MW: 214.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.30
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass214.15689456
Monoisotopic Mass214.15689456
Topological Polar Surface Area43.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity166
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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