Basic information
- CAS
91973-86-3- Standard SMILES
Cc1ccc(C(=O)c2c[nH]c(=O)[nH]c2=O)cc1- InChIKey
VDHBDDTVYRIAPJ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 5-(4-Methylbenzoyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-(4-methylbenzoyl)-1H-pyrimidine-2,4-dione
Names & synonyms
5-(4-methylbenzoyl)pyrimidine-2,4(1h,3h)-dione91973-86-35-(4-methylbenzoyl)-1H-pyrimidine-2,4-dioneNSC76383DTXSID40291556NSC-76383DS-008836
Database identifiers
- CAS
91973-86-3- PubChem CID
- 253449
- DTXSID
DTXSID40291556
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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