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Beta-Pinene

CAT: 1299-RG-A262476-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262476-03Size:50 mg
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CAS Number
127-91-3
Synonyms
6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
Molecular Formula
C10H16
Molecular Weight
136.24
Target Alternative Name
Pinene
Product Name Synonym
6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane

Chemical Information

Beta-Pinene

Beta-pinene is an isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. It has a role as a plant metabolite.

CAS Number127-91-3
PubChem CID14896
IUPAC Name6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
Molecular FormulaC10H16
Molecular Weight136.23
XLogP3.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity176
SMILES
CC1(C2CCC(=C)C1C2)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey
WTARULDDTDQWMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Pinene
CAS: 127-91-3
CID: 14896
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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