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2-Nonyl Acetate

CAT: 0024-sc-460799Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-460799Size:25 g
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CAS Number
14936-66-4

Chemical Information

2-Nonyl acetate

Nonan-2-yl acetate has been reported in Ruta graveolens with data available.

CAS Number14936-66-4
PubChem CID85788
IUPAC Namenonan-2-yl acetate
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity132
SMILES
CCCCCCCC(C)OC(=O)C
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3
InChIKey
GSUGVJOUDSLEBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nonyl acetate
CAS: 14936-66-4
CID: 85788
Formula: C11H22O2
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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