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705250-88-0

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Basic Information
CAS No.: 705250-88-0
Name: (1R,2R)-2-o-tolylcyclopropanecarboxylic acid
Molecular Structure:
Molecular Structure of 705250-88-0 ((1R,2R)-2-o-tolylcyclopropanecarboxylic acid)
Formula: C11H12O2
Molecular Weight: 176.21
Synonyms: LogP
Density: 1.207 g/cm3
Boiling Point: 334.564 °C at 760 mmHg
Flash Point: 153.315 °C
PSA: 37.30000
LogP: 2.18310
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Specification

The CAS register number of (1R,2R)-rel-2-(2-Methylphenyl)cyclopropanecarboxylic acid is 705250-88-0. It also can be called as (1R,2R)-rel-2-(2-Methylphenyl)cyclopropanecarboxylic acid and the systematic name about this chemical is (1R,2R)-2-(o-tolyl)cyclopropanecarboxylic acid.

Physical properties about (1R,2R)-rel-2-(2-Methylphenyl)cyclopropanecarboxylic acid are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 0.963; (3)ACD/BCF (pH 5.5): 1.853; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 28.611; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 37.3Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 49.212 cm3; (13)Molar Volume: 145.948 cm3; (14)Polarizability: 19.509x10-24cm3; (15)Surface Tension: 51.389 dyne/cm; (16)Enthalpy of Vaporization: 60.959 kJ/mol; (17)Boiling Point: 334.564 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccccc1[C@@H]2C[C@H]2C(=O)O
(2)InChI: InChI=1/C11H12O2/c1-7-4-2-3-5-8(7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
(3)InChIKey: JLTWVSDENGCCEJ-VHSXEESVBZ
(4)Std. InChI: InChI=1S/C11H12O2/c1-7-4-2-3-5-8(7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
(5)Std. InChIKey: JLTWVSDENGCCEJ-VHSXEESVSA-N