Basic information
- CAS
5004-50-2- Standard SMILES
O=C1NC(=O)C(C2(O)C(=O)c3ccccc3C2=O)C(=O)N1- InChIKey
XPEQCDLTKWQNBP-UHFFFAOYSA-N- Molecular formula
- C13H8N2O6
- Average molar mass
- 288.21 g/mol
- Monoisotopic mass
- 288.03823598
Names & identifiers
- Preferred name
- 5-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-(2-hydroxy-1,3-dioxoinden-2-yl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5004-50-25-(2,3-Dihydro-2-hydroxy-1,3-dioxo-1H-inden-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione5-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trioneTimTec1_001496Oprea1_282357Oprea1_747938DTXSID701131877STL559231AKOS003600975AKOS0375162622-hydroxy-5-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)pyrimidine-4,6(1H,5H)-dione5-(2-Hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
5004-50-2- PubChem CID
- 2249598
- DTXSID
DTXSID701131877
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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