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Reference substances

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IUPAC name:
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Inventory

EC number:
201-291-9
EC name:
Pin-2(3)-ene
CAS number:
80-56-8
CAS number:
80-56-8
Synonyms
Names:
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
Terpenes and Terpenoids, turpentine-oil, a-pinene fraction
Identifier:
IUPAC name
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene or (1S,5S)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
Identifier:
other: SMILES notation
C\1=C(\[C@@H]2C[C@H](C/1)C2(C)C)C
Identifier:
other: InChl
InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1

Molecular and structural information

Molecular formula:
C10H16
Molecular weight:
136.23
SMILES notation:
CC1=CCC2CC1C2(C)C
InChl:
InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Structural formula:
Chemical structure

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CAS number
Identity:
80-56-8