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63861-26-7

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Basic Information
CAS No.: 63861-26-7
Name: Cyclopentanecarboxylic acid, 2,2-dimethyl-
Article Data: 7
Molecular Structure:
Molecular Structure of 63861-26-7 (Cyclopentanecarboxylic acid, 2,2-dimethyl-)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: 2,2-Dimethylcyclopentanecarboxylicacid;
Density: 1.02 g/cm3
Boiling Point: 227.8 °C at 760 mmHg
Flash Point: 107.3 °C
PSA: 37.30000
LogP: 1.89730
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Specification

The Cyclopentanecarboxylic acid, 2,2-dimethyl-, with the CAS registry number 63861-26-7, is also known as 2,2-Dimethylcyclopentanecarboxylicacid. This chemical's molecular formula is C8H14O2 and molecular weight is 142.1956. What's more, its systematic name is 3,3-Dimethylcyclopentanecarboxylic acid. 

Physical properties about Cyclopentanecarboxylic acid, 2,2-dimethyl- are: (1) ACD/LogP: 2.24; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.48; (4) ACD/LogD (pH 7.4): -0.32; (5) ACD/BCF (pH 5.5): 5.1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 67.64; (8) ACD/KOC (pH 7.4): 1.09; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.464; (14) Molar Refractivity: 38.48 cm3; (15) Molar Volume: 139.3 cm3; (16) Polarizability: 15.25×10-24 cm3; (17) Surface Tension: 34.2 dyne/cm; (18) Density: 1.02 g/cm3; (19) Flash Point: 107.3 °C; (20) Enthalpy of Vaporization: 51.15 kJ/mol; (21) Boiling Point: 227.8 °C at 760 mmHg; (22) Vapour Pressure: 0.0274 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1CC(C)(C)CC1
(2) InChI: InChI=1/C8H14O2/c1-8(2)4-3-6(5-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
(3) InChIKey: NZJLOXPRWMDELI-UHFFFAOYAQ