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Chemical structure of Verbenone

GC61423

Verbenone

Also known as (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one

Verbenone ((-)-Verbenone) is a natural terpene in leaves of the tree, Suregada zanzibariensis Verdc

ChemicalCAS1196-01-6MW150.22FormulaC10H14O
CAS number
1196-01-6
Molecular weight
150.22
Formula
C10H14O
Solubility
DMSO： 100 mg/mL (665·69 mM)
InChIKey
DCSCXTJOXBUFGB-JGVFFNPUSA-N
Catalogue number
GC61423
Brand
GLPBIO
Computed properties PubChem CID 92874 · XLogP 1.6 · TPSA 17.1 Ų · H-bond donors 0
XLogP
1.6
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

SMILES CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

Computed descriptors from PubChem (CID 92874), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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