Basic information
- CAS
65685-95-2- Standard SMILES
O=C1NC(=O)C(CC2CO2)(c2ccccc2)C(=O)N1- InChIKey
VVAYGSNAYDPSIV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 5-(2,3-Epoxypropyl)-5-phenylbarbituric acid
- IUPAC
- 5-(oxiran-2-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
Alphenal epoxideNIOSH/CQ43770005-(2,3-Epoxypropyl)-5-phenylbarbituric acid65685-95-2CQ43770000Barbituric acid, 5-(2,3-epoxypropyl)-5-phenyl-DTXSID009842305-(Oxiranylmethyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(oxiranylmethyl)-5-phenyl-4,6-Dihydroxy-5-[(oxiran-2-yl)methyl]-5-phenylpyrimidin-2(5H)-one
Database identifiers
- CAS
65685-95-2- PubChem CID
- 149282
- DTXSID
DTXSID00984230- Nikkaji
- J62.450K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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