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14399-63-4

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Basic Information
CAS No.: 14399-63-4
Name: (1-Hydroxy-cyclohexyl)-acetic acid
Article Data: 15
Molecular Structure:
Molecular Structure of 14399-63-4 ((1-Hydroxy-cyclohexyl)-acetic acid)
Formula: C8H14O3
Molecular Weight: 158.197
Synonyms: 1-Hydroxy-1-cyclohexaneaceticacid;NSC 64733;(1-Hydroxycyclohexyl)acetic acid;2-(1-Hydroxycyclohexyl)acetic acid;AC1L6LTB;AC1L6LTB;
Density: 1.179 g/cm3
Boiling Point: 318.6 °C at 760 mmHg
Flash Point: 160.7 °C
PSA: 57.53000
LogP: 1.15630
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Specification

The Cyclohexaneacetic acid,1-hydroxy- with CAS registry number of 14399-63-4 is also known as 1-Hydroxy-1-cyclohexaneaceticacid. The IUPAC name is 2-(1-Hydroxycyclohexyl)acetic acid. In addition, the formula is C8H14O3 and the molecular weight is 158.20.

Physical properties about Cyclohexaneacetic acid,1-hydroxy- are: (1)ACD/LogP: 0.78; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.43; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 40.05 cm3; (11)Molar Volume: 134 cm3; (12)Surface Tension: 50.4 dyne/cm; (13)Density: 1.179 g/cm3; (14)Flash Point: 160.7 °C; (15)Enthalpy of Vaporization: 64.93 kJ/mol; (16)Boiling Point: 318.6 °C at 760 mmHg; (17)Vapour Pressure: 2.94E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)CC1(O)CCCCC1
2. InChI: InChI=1/C8H14O3/c9-7(10)6-8(11)4-2-1-3-5-8/h11H,1-6H2,(H,9,10)
3. InChIKey: AADJJWDBCQRALD-UHFFFAOYAP
4. Std. InChI: InChI=1S/C8H14O3/c9-7(10)6-8(11)4-2-1-3-5-8/h11H,1-6H2,(H,9,10)
5. Std. InChIKey: AADJJWDBCQRALD-UHFFFAOYSA-N