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159694-26-5

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Basic Information
CAS No.: 159694-26-5
Name: Pyrrolidine-3,4-dicarboxylic acid
Molecular Structure:
Molecular Structure of 159694-26-5 (Pyrrolidine-3,4-dicarboxylic acid)
Formula: C6H9NO4
Molecular Weight: 159.142
Synonyms: Pyrrolidine-3,4-dicarboxylic acid;3,4-Pyrrolidinedicarboxylic acid;
Density: 1.456g/cm3
Boiling Point: 420.3 °C at 760 mmHg
Flash Point: 208 °C
PSA: 86.63000
LogP: -0.68000
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Specification

The Pyrrolidine-3,4-dicarboxylic acid with cas registry number of 159694-26-5, belongs to the following product categories: carboxylicacid. It has the systematic name of pyrrolidine-3,4-dicarboxylic acid. And it is also named Pyrrolidine-3,4-dicarboxylic acid.

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; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 55.84 Å2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 34 cm3; (12)Molar Volume: 109.2 cm3; (13)Polarizability: 13.48×10-24cm3; (14)Surface Tension: 64.1 dyne/cm; (15)Enthalpy of Vaporization: 73.95 kJ/mol; (16)Vapour Pressure: 3.05E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CNCC1C(=O)O;
(2)InChI: InChI=1/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11);
(3)InChIKey: KMHDKGFRYVKQNW-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11);
(5)Std. InChIKey: KMHDKGFRYVKQNW-UHFFFAOYSA-N