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Substance Name: 3H-Pyrimidin-4-one
RN: 51953-17-4
InChIKey: TZYQTWHRLVDYPL-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-N2-O

Molecular Weight

  • 96.0886
 
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Names and Synonyms

Synonym

  • EINECS 257-545-4

Systematic Name

  • 3H-Pyrimidin-4-one

Registry Numbers

CAS Registry Number

  • 51953-17-4

System Generated Number

  • 0051953174

Structure Descriptors

InChI

1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2

InChIKey

TZYQTWHRLVDYPL-UHFFFAOYSA-N

Smiles

O=C1N=CN=CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 164 deg C   EXP
log P (octanol-water) -0.120 (none)   EST
Water Solubility 3.70E+05 mg/L 20 EXP
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EST

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