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cis-3-Hydroxycyclobutanecarboxylic acid

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Name

cis-3-Hydroxycyclobutanecarboxylic acid

EINECS N/A
CAS No. 552849-33-9 Density 1.448g/cm3
PSA 57.53000 LogP -0.15810
Solubility N/A Melting Point N/A
Formula C5H8O3 Boiling Point 290.129 °C at 760 mmHg
Molecular Weight 116.117 Flash Point 143.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 552849-33-9 (cis-3-Hydroxycyclobutanecarboxylic acid) Hazard Symbols N/A
Synonyms

cyclobutanecarboxylic acid, 3-hydroxy-, cis-;

Article Data 5

cis-3-Hydroxycyclobutanecarboxylic acid 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

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