1,1,2-Cyclobutanetricarboxylicacid supplier

Name
cyclobutane-1,1,2-tricarboxylic acid
EINECS
CAS No. 2144-31-2
Article Data5
CAS DataBase
Density 1.772g/cm³
Solubility
Melting Point
Formula C₇H₈O₆
Boiling Point 531.4 °C at 760 mmHg
Molecular Weight 188.137
Flash Point 289.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC179362;
PSA
LogP

1,1,2-Cyclobutanetricarboxylicacid Specification

The 1,1,2-Cyclobutanetricarboxylicacid, with CAS registry number 2144-31-2, has the systematic name of cyclobutane-1,1,2-tricarboxylic acid. And the chemical formula of this chemical is C₇H₈O₆. Its molecular weight is 188.1348.

Physical properties of 1,1,2-Cyclobutanetricarboxylicacid: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.9 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 36.67 cm³; (13)Molar Volume: 106.1 cm³; (14)Polarizability: 14.53×10^-24cm³; (15)Surface Tension: 107.1 dyne/cm; (16)Density: 1.772 g/cm³; (17)Flash Point: 289.2 °C; (18)Enthalpy of Vaporization: 88.27 kJ/mol; (19)Boiling Point: 531.4 °C at 760 mmHg; (20)Vapour Pressure: 1.04E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(C(=O)O)C(C(=O)O)CC1
(2)InChI: InChI=1/C7H8O6/c8-4(9)3-1-2-7(3,5(10)11)6(12)13/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
(3)InChIKey: CMLOVBIZVAKNJA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H8O6/c8-4(9)3-1-2-7(3,5(10)11)6(12)13/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
(5)Std. InChIKey: CMLOVBIZVAKNJA-UHFFFAOYSA-N

Product Name

cyclobutane-1,1,2-tricarboxylic acid

1,1,2-Cyclobutanetricarboxylicacid Specification

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