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Borneol

CAT: 0013-GTR19153914Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153914Size:20 mg
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Description
Borneol
CAS Number
507-70-0
Purity
> 98%, Standard References
Smiles
[C@@]12 ([C@@H] (O) C[C@H] (C1 (C) C) CC2) C
Molecular Formula
C10H18O
Molecular Weight
154.25
Notes
For research use only.

Chemical Information

Borneol

Borneol is a bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2. It has a role as a metabolite and a volatile oil component.

CAS Number507-70-0
PubChem CID64685
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity185
SMILES
CC1(C2CCC1(C(C2)O)C)C
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey
DTGKSKDOIYIVQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Borneol
CAS: 507-70-0
CID: 64685
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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