Chemical Properties of Orotic acid (CAS 65-86-1)

InChI

InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

InChI Key

PXQPEWDEAKTCGB-UHFFFAOYSA-N

Formula

C5H4N2O4

SMILES

O=C(O)c1cc(=O)[nH]c(=O)[nH]1

Molecular Weight¹

156.10

CAS

65-86-1

Other Names

• 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
• 2,6-Dihydroxy-4-pyrimidinecarboxylic acid
• 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-
• 50887-69-9 (hydrate)
• 6-Carboxyuracil
• 6-Uracilcarboxylic acid
• Animal galactose factor
• NSC 9791
• Orodin
• Oropur
• Orotonin
• Orotonsan
• Orotsaeure
• Oroturic
• Orotyl
• Vitamin B13
• Whey factor

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Orotic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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