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Basic Information
CAS No.: 4440-68-0
Name: β-Dihydromuconic acid
Molecular Structure:
Molecular Structure of 4440-68-0 (β-Dihydromuconic acid)
Formula: C6H8O4
Molecular Weight: 144.127
Synonyms: 1-Butene-1,4-dicarboxylic acid;r-Hydromuconic acid;
Density: 1.305 g/cm3
Melting Point: 210 °C
Boiling Point: 387.6 °C at 760 mmHg
Flash Point: 202.4 °C
PSA: 74.60000
LogP: 0.49200
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Chemistry

Molecular Structure of 2-Hexenedioic acid (CAS NO.4440-68-0):

Empirical Formula: C6H8O4
Molecular Weight: 144.1253
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 52.6Å2
Index of Refraction: 1.51
Molar Refractivity: 33.03 cm3
Molar Volume: 110.4 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.305 g/cm3
Flash Point: 202.4 °C
Enthalpy of Vaporization: 69.89 kJ/mol
Boiling Point: 387.6 °C at 760 mmHg
Vapour Pressure: 4.39E-07 mmHg at 25°C
SMILES: O=C(O)\C=C\CCC(=O)O
InChI: InChI=1/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,7,8)(H,9,10)/b3-1+

Specification

  2-Hexenedioic acid , with CAS number of 4440-68-0, can be called 1-Butene-1,4-dicarboxylic acid ; r-Hydromuconic acid ; β-Dihydromuconic acid .