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85819-03-0

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Basic Information
CAS No.: 85819-03-0
Name: 2,4-Piperidinedicarboxylic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 85819-03-0 (2,4-Piperidinedicarboxylic acid)
Formula: C7H11NO4
Molecular Weight: 173.169
Synonyms: 2,4-Piperidine dicarboxylate;Piperidine-2,4-dicarboxylic acid;
Density: 1.363g/cm3
Melting Point: 300 °C
Boiling Point: 362.3°Cat760mmHg
Flash Point: 172.9°C
PSA: 86.63000
LogP: -0.14740
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Chemistry

IUPAC Name: Piperidine-2,4-dicarboxylic acid
Synonyms of 2,4-Piperidinedicarboxylic acid (CAS NO.85819-03-0): 2,4-Piperidine dicarboxylate
CAS NO: 85819-03-0
Molecular Formula: C7H11NO4
Molecular Weight: 173.1665
Molecular Structure:
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 55.84 ?2
Index of Refraction: 1.52
Molar Refractivity: 38.62 cm3
Molar Volume: 126.9 cm3
Polarizability: 15.31 10-24cm3
Surface Tension: 57.2 dyne/cm
Density: 1.363 g/cm3
Flash Point: 172.9 °C
Enthalpy of Vaporization: 66.81 kJ/mol
Boiling Point: 362.3 °C at 760 mmHg
Vapour Pressure: 3.11E-06 mmHg at 25°C 
SMILES: O=C(O)C1CC(C(=O)O)NCC1
InChI: InChI=1/C7H11NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
InChIKey: WXUOEIRUBILDKO-UHFFFAOYAE
Std. InChI: InChI=1S/C7H11NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
Std. InChIKey: WXUOEIRUBILDKO-UHFFFAOYSA-N