Basic information
- CAS
5897-20-1- Standard SMILES
CCC1(C2=CCCCC2)C(=O)N=C([O-])N=C1[O-].[Ca+2]- InChIKey
WLFGRJGVFJFWQK-UHFFFAOYSA-L- Molecular formula
- C12H14CaN2O3
- Average molar mass
- 274.33 g/mol
- Monoisotopic mass
- 274.0630332
Names & identifiers
- Preferred name
- Calcium 5-(cyclohex-1-en-1-yl)-5-ethyl-2-oxo-2,5-dihydropyrimidine-4,6-bis(olate)
- IUPAC
- calcium 5-(cyclohexen-1-yl)-5-ethyl-6-oxopyrimidine-2,4-diolate
Names & synonyms
DTXSID70974466Calcium 5-(cyclohex-1-en-1-yl)-5-ethyl-2-oxo-2,5-dihydropyrimidine-4,6-bis(olate)
Database identifiers
- CAS
5897-20-1- PubChem CID
- 79999
- DTXSID
DTXSID70974466
Properties
Computed structural properties
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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