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Substance Name: Orotic acid methyl ester
RN: 6153-44-2
UNII: 41C6IFG4MQ
InChIKey: UUTDWTOZAWFKFW-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-O4

Molecular Weight

  • 170.1234
 
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Names and Synonyms

Name of Substance

  • Orotic acid methyl ester

Synonyms

  • EINECS 228-171-9
  • UNII-41C6IFG4MQ

Systematic Name

  • Methyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate

Registry Numbers

CAS Registry Number

  • 6153-44-2

FDA UNII

  • 41C6IFG4MQ

System Generated Number

  • 0006153442

Structure Descriptors

InChI

1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11)

InChIKey

UUTDWTOZAWFKFW-UHFFFAOYSA-N

Smiles

COC(=O)C1=CC(=O)NC(=O)N1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 1.78E+04 mg/L 25 EST
Vapor Pressure 1.01E-07 mm Hg 25 EST
Henry's Law Constant 2.59E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.60E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.