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Isobornyl acetate

CAT: 1410-M21479-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M21479-01Size:25 mg
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Description
Isobornyl acetate is a fragrance compound.
CAS Number
125-12-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
196.29
Molecular Formula
C12H20O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Isobornyl acetate

isobornyl acetate has been reported in Micromeria juliana and Plectranthus glabratus with data available.

CAS Number125-12-2
PubChem CID637531
IUPAC Name[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity269
SMILES
CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
InChIKey
KGEKLUUHTZCSIP-FOGDFJRCSA-N
Chemical Structure
2D Structure
2D structure of Isobornyl acetate
CAS: 125-12-2
CID: 637531
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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