Name: 1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID
SKU: 3724-52-5

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Basic Information

Molecular Structure:
CAS No.:	3724-52-5
Name:	1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID

Formula:	C₉H₁₀O₈
Molecular Weight:	246.174
Synonyms:	1,2,3,4-Tetracarboxycyclopentane;
EINECS:	223-074-8
Density:	1.787 g/cm³
Melting Point:	approximate 179℃ (dec.)
Boiling Point:	495.6 °C at 760 mmHg
Flash Point:	267.6 °C
PSA:	149.20000
LogP:	-0.80670

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Specification

The 1,2,3,4-Cyclopentanetetracarboxylicacid is an organic compound with the formula C₉H₁₀O₈. The IUPAC name of this chemical is cyclopentane-1,2,3,4-tetracarboxylic acid. With the CAS registry number 3724-52-5, it is also named as 1,2,3,4-Tetracarboxycyclopentane. Besides, it should be stored in a dark closed and well-ventilated place.

Physical properties about 1,2,3,4-Cyclopentanetetracarboxylicacid are: (1)ACD/LogP: -1.31; (2)ACD/LogD (pH 5.5): -4.97; (3)ACD/LogD (pH 7.4): -7.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 105.2 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 47.48 cm³; (14)Molar Volume: 137.7 cm³; (15)Polarizability: 18.82×10^-24cm³; (16)Surface Tension: 105.6 dyne/cm; (17)Density: 1.787 g/cm³; (18)Flash Point: 267.6 °C; (19)Enthalpy of Vaporization: 83.56 kJ/mol; (20)Boiling Point: 495.6 °C at 760 mmHg; (21)Vapour Pressure: 3.58E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1C(C(=O)O)C(C(=O)O)CC1C(=O)O
(2)InChI: InChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
(3)InChIKey: WOSVXXBNNCUXMT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
(5)Std. InChIKey: WOSVXXBNNCUXMT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	10gm/kg (10000mg/kg)		Angewandte Chemie, International Edition in English. Vol. 14, Pg. 94, 1975.