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64740-38-1

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Basic Information
CAS No.: 64740-38-1
Name: beta,4-dimethylcyclohex-3-ene-1-propionic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 64740-38-1 (beta,4-dimethylcyclohex-3-ene-1-propionic acid)
Formula: C11H18O2
Molecular Weight: 182.263
Synonyms: beta, 4-Dimethylcyclohex-3-ene-1-propionic acid;
EINECS: 265-036-3
Density: 1.007 g/cm3
Boiling Point: 297.1 °C at 760 mmHg
Flash Point: 194.2 °C
PSA: 37.30000
LogP: 2.84360
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Specification

The 3-Cyclohexene-1-propanoicacid, b, 4-dimethyl-, with the CAS registry number 64740-38-1, is also known as beta, 4-Dimethylcyclohex-3-ene-1-propionic acid. Its EINECS registry number is 265-036-3. This chemical's molecular formula is C11H18O2 and molecular weight is 182.25942. What's more, its IUPAC name is 3-(4-Methylcyclohex-3-en-1-yl)butanoic acid.

Physical properties about 3-Cyclohexene-1-propanoicacid, b, 4-dimethyl- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 27.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 211.94; (8)ACD/KOC (pH 7.4): 3.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 52.04 cm3; (15)Molar Volume: 180.9 cm3; (16)Polarizability: 20.63×10-24 cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.007 g/cm3; (19)Flash Point: 194.2 °C; (20)Enthalpy of Vaporization: 59.06 kJ/mol; (21)Boiling Point: 297.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000332 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(C)C1C/C=C(/C)CC1
(2) InChI: InChI=1/C11H18O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3,9-10H,4-7H2,1-2H3,(H,12,13)
(3) InChIKey: NQUREYWIIIRLGK-UHFFFAOYAD