1,6-Dihydro-2-(4-nitrophenyl)-6-oxo-4-pyrimidinecarboxylic acid
Basic information
- CAS
84660-29-7- Standard SMILES
O=C(O)c1cc(=O)[nH]c(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
PWJFTKRIAAPNEU-UHFFFAOYSA-N- Molecular formula
- C11H7N3O5
- Average molar mass
- 261.19 g/mol
- Monoisotopic mass
- 261.03857033
Names & identifiers
- Preferred name
- 1,6-Dihydro-2-(4-nitrophenyl)-6-oxo-4-pyrimidinecarboxylic acid
- IUPAC
- 2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Names & synonyms
DTXSID3011743421,6-Dihydro-2-(4-nitrophenyl)-6-oxo-4-pyrimidinecarboxylic acid2-(4-Nitrophenyl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid84660-29-7
Database identifiers
- CAS
84660-29-7- PubChem CID
- 136304129
- DTXSID
DTXSID301174342
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 483
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…