Basic information
- CAS
3346-62-1- Standard SMILES
Cn1c(O)c([N+](=O)[O-])c(=O)n(C)c1=O- InChIKey
LNCMPHONLFYCDM-UHFFFAOYSA-N- Molecular formula
- C6H7N3O5
- Average molar mass
- 201.14 g/mol
- Monoisotopic mass
- 201.03857033
Names & identifiers
- Preferred name
- 6-hydroxy-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-hydroxy-1,3-dimethyl-5-nitropyrimidine-2,4-dione
Names & synonyms
3346-62-16-hydroxy-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dioneNSC99326DTXSID40295019NSC-99326
Database identifiers
- CAS
3346-62-1- PubChem CID
- 264282
- DTXSID
DTXSID40295019
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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