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5454-78-4

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Basic Information
CAS No.: 5454-78-4
Name: 2-methylcyclopentane-1-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 5454-78-4 (2-methylcyclopentane-1-carboxylic acid)
Formula: C7H12O2
Molecular Weight: 128.171
Synonyms: 2-Methylcyclopentane-1-carboxylic acid;
Density: 1.059 g/cm3
Boiling Point: 215.2 °C at 760 mmHg
Flash Point: 99.5 °C
PSA: 37.30000
LogP: 1.50720
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Specification

The Cyclopentanecarboxylicacid, 2-methyl-, with the CAS registry number 5454-78-4, is also known as 2-Methylcyclopentane-1-carboxylic acid. This chemical's molecular formula is C7H12O2 and molecular weight is 128.169.

Physical properties about Cyclopentanecarboxylicacid, 2-methyl- are: (1)ACD/LogP: 1.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/BCF (pH 5.5): 1.96; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.07; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 33.87 cm3; (14)Molar Volume: 120.9 cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.059 g/cm3; (17)Flash Point: 99.5 °C; (18)Enthalpy of Vaporization: 49.75 kJ/mol; (19)Boiling Point: 215.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0579 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1CCCC1C
(2) InChI: InChI=1/C7H12O2/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
(3) InChIKey: YDUMDNFZGQAOJB-UHFFFAOYAY