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9-Decenyl Acetate

CAT: 0024-sc-471720Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-471720Size:25 mL
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CAS Number
50816-18-7

Chemical Information

9-Decenyl acetate
CAS Number50816-18-7
PubChem CID39801
IUPAC Namedec-9-enyl acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
CC(=O)OCCCCCCCCC=C
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3
InChIKey
PIQXMYAEJSMANF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Decenyl acetate
CAS: 50816-18-7
CID: 39801
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
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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