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CAS No.: | 26041-69-0 |
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Name: | (1S,2R)-2-chlorocyclohexanecarboxylic acid |
Molecular Structure: | |
Formula: | C7H11ClO2 |
Molecular Weight: | 162.616 |
Synonyms: | NSC25314; |
Density: | 1.21 g/cm3 |
Boiling Point: | 279.5 °C at 760 mmHg |
Flash Point: | 122.8 °C |
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The CAS register number of Cyclohexanecarboxylic acid, 2-chloro-, trans- (8CI,9CI) is 26041-69-0. The systematic name about this chemical is (1S,2R)-2-chlorocyclohexanecarboxylic acid. The molecular formula about this chemical is C7H11ClO2 and the molecular weight is 162.61614.
Physical properties about Cyclohexanecarboxylic acid, 2-chloro-, trans- (8CI,9CI) are: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 26.3 Å2; (6)Index of Refraction: 1.494; (7)Molar Refractivity: 38.84 cm3; (8)Molar Volume: 133.3 cm3; (9)Polarizability: 15.4x10-24cm3; (10)Surface Tension: 41.2 dyne/cm; (11)Density: 1.21 g/cm3; (12)Flash Point: 122.8 °C; (13)Enthalpy of Vaporization: 57.02 kJ/mol; (14)Boiling Point: 279.5 °C at 760 mmHg; (15)Vapour Pressure: 0.00107 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1CCCC[C@H]1Cl
(2)InChI: InChI=1/C7H11ClO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-/m1/s1
(3)InChIKey: UOYCVJQBIVUXEK-PHDIDXHHBO
(4)Std. InChI: InChI=1S/C7H11ClO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-/m1/s1
(5)Std. InChIKey: UOYCVJQBIVUXEK-PHDIDXHHSA-N