Chemical Properties of 4-Pyrimidinecarboxylic acid, 5-amino-1,2,3,6-tetrahydro-2,6-dioxo- (CAS 7164-43-4)

InChI

InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

InChI Key

HWCXJKLFOSBVLH-UHFFFAOYSA-N

Formula

C5H5N3O4

SMILES

Nc1c(C(=O)O)[nH]c(=O)[nH]c1=O

Molecular Weight¹

171.11

CAS

7164-43-4

Other Names

• Orotic acid, 5-amino-
• Orothic acid, 5-amino-
• 5-Aminoorotic acid
• 5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
• 5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
• 5-Amino-2,6-dihydroxy-4-pyrimidinecarboxylic acid
• NSC 43249
• 5-amino-2,6-dioxo-1,2,3,4-tetrahydropyrimidine-4-carboxylic acid

• 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 4-Pyrimidinecarboxylic acid, 5-amino-1,2,3,6-tetrahydro-2,6-dioxo-.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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