CAS No.1703-61-3,4-oxocyclopentane-1,2-dicarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1703-61-3
Name:	4-oxocyclopentane-1,2-dicarboxylic acid
Article Data:	14

Formula:	C₇H₈O₅
Molecular Weight:	172.138
Synonyms:	4-Oxo-1,2-cyclopentanedicarboxylic acid;
Density:	1.569 g/cm³
Melting Point:	189 °C
Boiling Point:	466.732 °C at 760 mmHg
Flash Point:	250.188 °C
PSA:	91.67000
LogP:	-0.24910

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Specification

The 1,2-Cyclopentanedicarboxylicacid, 4-oxo-, with CAS registry number 1703-61-3, has the systematic name of 4-oxocyclopentane-1,2-dicarboxylic acid. Besides this, it is also called Cyclopentanone-3,4-dicarboxylicacid. And the chemical formula of this chemical is C₇H₈O₅.

Physical properties of 1,2-Cyclopentanedicarboxylicacid, 4-oxo-: (1)ACD/LogP: -1.60; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 69.67 Å²; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 35.4 cm³; (13)Molar Volume: 109.7 cm³; (14)Polarizability: 14.03×10^-24cm³; (15)Surface Tension: 78.1 dyne/cm; (16)Density: 1.569 g/cm³; (17)Flash Point: 250.2 °C; (18)Enthalpy of Vaporization: 79.83 kJ/mol; (19)Boiling Point: 466.7 °C at 760 mmHg; (20)Vapour Pressure: 5.29E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1C(C(=O)O)CC(=O)C1
(2)InChI: InChI=1/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)
(3)InChIKey: CJSMOECOKYPHSC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)
(5)Std. InChIKey: CJSMOECOKYPHSC-UHFFFAOYSA-N