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Nonyl Acetate

CAT: 0024-sc-396802ASize: 500 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-396802ASize:500 mL
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CAS Number
143-13-5

Chemical Information

Nonyl Acetate

Nonyl acetate is the acetate ester of nonan-1-ol. It has a role as a metabolite. It is functionally related to a nonan-1-ol.

CAS Number143-13-5
PubChem CID8918
IUPAC Namenonyl acetate
Molecular FormulaC11H22O2
Molecular Weight186.29
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity121
SMILES
CCCCCCCCCOC(=O)C
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nonyl Acetate
CAS: 143-13-5
CID: 8918
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 Count9
Exact Mass186.161979940
Monoisotopic Mass186.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity121
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
GTR19233452-01Nonyl acetate
N13850N-Nonyl acetate, FCC
MBS6096364-017beta-[9-[[9-[(4,4,5,5,5-Pentafluoropentyl)sulfenyl]nonyl]sulfenyl]nonyl]estra-4-ene-3,17beta-diol 17-Acetate
0192007β-[9-[[9-[ (4,4,5,5,5-Pentafluoropentyl) sulfenyl]nonyl]sulfenyl]nonyl]estra-4-ene-3,17β-diol 17-Acetate
OR1022313Nonyl isothiocyanate
AG037Nonyl Phenol
OR5499-01Nonyl iodide
T28095-01Nonyl acrylate
FN70716-01Nonyl gallate
5451-95-6Nonyl benzoate

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