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(+) -Bornyl Acetate

CAT: 0013-GTR19167149-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167149-01Size:10 mg
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Description
(+) -Bornyl Acetate
CAS Number
20347-65-3
Product Name Alternative
(+) -Bornyl, (+) Bornyl Acetate, (+) Bornyl Acetate, Bornyl acetate, Bornyl Acetate, oil, inhibit, growth, Essential, Inhibitor, root
Field of Research
Immunology & Inflammation
Purity
98.44% (May vary between batches)
Solubility
DMSO:60 mg/mL (305.67 mM)
Smiles
C[C@]12[C@@H] (OC (C) =O) C[C@] (C1 (C) C) (CC2) [H]
Molecular Formula
C12H20O2
Molecular Weight
196.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Borneol acetate

(+)-bornyl acetate is a monoterpenoid and an acetate ester. It is functionally related to a (+)-borneol.

CAS Number20347-65-3
PubChem CID6950274
IUPAC Name[(1R,2S,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-SCVCMEIPSA-N
Chemical Structure
2D Structure
2D structure of (+)-Borneol acetate
CAS: 20347-65-3
CID: 6950274
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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