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CAS No.: | 99799-09-4 |
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Name: | 4-hydroxycyclohexylacetic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H14O3 |
Molecular Weight: | 158.197 |
Synonyms: | 2-(4-Hydroxycyclohexyl)acetic acid;(4-Hydroxycyclohexyl)acetic acid; |
Density: | 1.166 g/cm3 |
Melting Point: | 110-120 °C |
Boiling Point: | 326.439 °C at 760 mmHg |
Flash Point: | 165.436 °C |
PSA: | 57.53000 |
LogP: | 1.01220 |
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The 4-Hydroxycyclohexylacetic acid, with the CAS registry number 99799-09-4, is also known as 2-(4-Hydroxycyclohexyl)acetic acid. This chemical's molecular formula is C8H14O3 and molecular weight is 158.20. What's more, its systematic name is (4-Hydroxycyclohexyl)acetic acid.
Physical properties of 4-Hydroxycyclohexylacetic acid are: (1)ACD/LogP: 0.261; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): -2.42; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.38; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 40.152 cm3; (15)Molar Volume: 135.638 cm3; (16)Polarizability: 15.918×10-24cm3; (17)Surface Tension: 45.8129997253418 dyne/cm; (18)Density: 1.166 g/cm3; (19)Flash Point: 165.436 °C; (20)Enthalpy of Vaporization: 65.902 kJ/mol; (21)Boiling Point: 326.439 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCC(CC(O)=O)CC1
(2)Std. InChI: InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)
(3)Std. InChIKey: ALTAAUJNHYWOGS-UHFFFAOYSA-N