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| CAS No.: | 3444-72-2 |
|---|---|
| Name: | ETHYL 2-HYDROXYCYCLOHEXANECARBOXYLATE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H16O3 |
| Molecular Weight: | 172.224 |
| Synonyms: | 2-Carbethoxycyclohexanol;Ethyl 2-hydroxycyclohexanecarboxylate;NSC 245145; |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 251.4 °C at 760 mmHg |
| Flash Point: | 100.2 °C |
| PSA: | 46.53000 |
| LogP: | 1.10060 |
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Specification
The CAS registry number of Cyclohexanecarboxylicacid,2-hydroxy-,ethyl ester is 3444-72-2. The IUPAC name is ethyl 2-hydroxycyclohexanecarboxylate. In addition, the molecular formula is C9H16O3 and the molecular weight is 172.22. It belongs to the class of Pharmacetical.
Physical properties about Cyclohexanecarboxylicacid,2-hydroxy-,ethyl ester are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.481; (8)Molar Refractivity: 44.84 cm3; (9)Molar Volume: 157.5 cm3; (10)Polarizability: 17.77 ×10-24cm3; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.093 g/cm3; (13)Flash Point: 100.2 °C; (14)Enthalpy of Vaporization: 56.78 kJ/mol; (15)Boiling Point: 251.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00322 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CCCCC1O
(2)InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3
(3)InChIKey: WOGRTPJVNNCUKN-UHFFFAOYAN