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131469-76-6

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Basic Information
CAS No.: 131469-76-6
Name: 3-Cyclopropyl-2,2-dimethyl-propionic acid
Molecular Structure:
Molecular Structure of 131469-76-6 (3-Cyclopropyl-2,2-dimethyl-propionic acid)
Formula: C8H14O2
Molecular Weight: 142.1956
Synonyms: LogP
Density: 1.053 g/cm3
Boiling Point: 230.3 °C at 760 mmHg
Flash Point: 108.8 °C
PSA: 37.30000
LogP: 1.89730
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Specification

The 3-Cyclopropyl-2,2-dimethyl-propionic acid has CAS registry number 131469-76-6. Its molecular formula is C8H14O2 and molecular weight is 142.1956.

Physical properties about the 3-Cyclopropyl-2,2-dimethyl-propionic acid are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/BCF (pH 5.5): 3.16; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 51.14; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.483; (13)Molar Refractivity: 38.59 cm3; (14)Molar Volume: 135 cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.053 g/cm3; (17)Flash Point: 108.8 °C; (18)Enthalpy of Vaporization: 51.44 kJ/mol; (19)Boiling Point: 230.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0235 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(C)(C)CC1CC1
(2) InChI: InChI=1/C8H14O2/c1-8(2,7(9)10)5-6-3-4-6/h6H,3-5H2,1-2H3,(H,9,10)
(3) InChIKey: IFGOYRZTQBNBNW-UHFFFAOYAT