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Basic Information
CAS No.: 67801-65-4
Name: 3,6-dimethylcyclohex-3-ene-1-carbaldehyde
Molecular Structure:
Molecular Structure of 67801-65-4 (3,6-dimethylcyclohex-3-ene-1-carbaldehyde)
Formula: C9H14O
Molecular Weight: 138.21
Synonyms: 3,6-Dimethyl-3-cyclohexene-1-carboxaldehyde;NSC 26486;
EINECS: 267-186-5
Density: 0.957 g/cm3
Boiling Point: 189.2 °C at 760 mmHg
Flash Point: 61 °C
PSA: 17.07000
LogP: 2.17770
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Specification

The 3-Cyclohexene-1-carboxaldehyde, 3, 6-dimethyl-, with the CAS registry number 67801-65-4, is also known as 3, 6-Dimethyl-3-cyclohexene-1-carboxaldehyde. Its EINECS registry number is 267-186-5. This chemical's molecular formula is C9H14O and molecular weight is 138.20686. What's more, its IUPAC name is 3, 6-Dimethylcyclohex-3-ene-1-carbaldehyde.

Physical properties about 3-Cyclohexene-1-carboxaldehyde, 3, 6-dimethyl- are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.99; (6)ACD/BCF (pH 7.4): 62.99; (7)ACD/KOC (pH 5.5): 675.38; (8)ACD/KOC (pH 7.4): 675.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 43.29 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 17.16×10-24 cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.957 g/cm3; (19)Flash Point: 61 °C; (20)Enthalpy of Vaporization: 42.54 kJ/mol; (21)Boiling Point: 189.2 °C at 760 mmHg; (22)Vapour Pressure: 0.578 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC1C\C(=C/CC1C)C
(2) InChI: InChI=1/C9H14O/c1-7-3-4-8(2)9(5-7)6-10/h3,6,8-9H,4-5H2,1-2H3
(3) InChIKey: YLGCZMOAYIGIPX-UHFFFAOYAN