Basic information
- Name:
Cyclohexanecarboxylicacid, 2-hydroxy-
- Superlist Name:
- 2-Hydroxycyclohexanecarboxylic acid
- CAS No.:
609-69-8
- Molecular Structure:
- Formula:
- C7H12O3
- Molecular Weight:
- 144.17
- Synonyms:
- Cyclohexanol-2-carboxylic acid;Hexahydrosalicylic acid;2-Hydroxycyclohexanecarboxylicacid;
- Density:
- 1.246 g/cm3
- Boiling Point:
- 307.9 °C at 760 mmHg
- Flash Point:
- 154.2 °C
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Specification
The Cyclohexanecarboxylicacid, 2-hydroxy-, with CAS registry number 609-69-8, belongs to the following product category: Pharmacetical. It has the systematic name of 2-hydroxycyclohexanecarboxylic acid. And the chemical formula of this chemical is C7H12O3.
Physical properties of Cyclohexanecarboxylicacid, 2-hydroxy-: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.52; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 35.36 cm3; (15)Molar Volume: 115.6 cm3; (16)Polarizability: 14.02×10-24cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 63.61 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 6.47E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCCCC1O
(2)InChI: InChI=1/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
(3)InChIKey: SNKAANHOVFZAMR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
(5)Std. InChIKey: SNKAANHOVFZAMR-UHFFFAOYSA-N