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Reference substances

Reference substances

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General information

Inventory

EC number:
232-077-3
EC name:
(-)-pin-2(3)-ene
CAS number:
7785-26-4

No inventory information available

Reference substance information

IUPAC name:
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Synonyms
Names:
(-) alpha pinene
(-)-alpha-pinene
(-)-α-Pinene
(1S,5S)-Pin-2-ene
(1S,5S)-α-Pinene
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-
bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
Identifier:
CAS number
7785-26-4
Identifier:
IUPAC name
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene
Identifier:
other: InChl
1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
Identifier:
other: SMILES notation
C1([C@@H]2C[C@@H]1CC=C2C)(C)C
Identifier:
other: SMILES notation
C\1=C(\[C@@H]2C[C@H](C/1)C2(C)C)C
Identifier:
other: InChl
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

CAS information

CAS number:
7785-26-4

Molecular and structural information

Molecular formula:
C10H16
Molecular weight:
136.234
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