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| CAS No.: | 552849-33-9 |
|---|---|
| Name: | cis-3-Hydroxycyclobutanecarboxylic acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H8O3 |
| Molecular Weight: | 116.117 |
| Synonyms: | cyclobutanecarboxylic acid, 3-hydroxy-, cis-; |
| Density: | 1.448g/cm3 |
| Boiling Point: | 290.129 °C at 760 mmHg |
| Flash Point: | 143.5 °C |
| PSA: | 57.53000 |
| LogP: | -0.15810 |
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- Total:31 Page 1 of 1 1
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Specification
The cis-3-Hydroxycyclobutanecarboxylic acid, with CAS registry number 552849-33-9, has the systematic name of cis-3-Hydroxycyclobutanecarboxylic acid. And its IUPAC name is 3-hydroxycyclobutane-1-carboxylic acid. Besides this, it is also called cyclobutanecarboxylic acid, 3-hydroxy-, cis-.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.037; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 57.53 Å2; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 26.145 cm3; (12)Molar Volume: 80.214 cm3; (13)Polarizability: 10.365×10-24cm3; (14)Surface Tension: 74.59 dyne/cm; (15)Enthalpy of Vaporization: 61.438 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@@H](C[C@@H]1C(=O)O)O
(2)InChI: InChI=1/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+
(3)InChIKey: ZSHGVMYLGGANKU-ZXZARUISBD
(4)Std. InChI: InChI=1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+
(5)Std. InChIKey: ZSHGVMYLGGANKU-ZXZARUISSA-N