Basic information
- CAS
680623-63-6- Standard SMILES
COC(=O)c1nc(C(=O)OC)c(C)[nH]1- InChIKey
QFDKLOADSDWOPU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Names & identifiers
- Preferred name
- Dimethyl 5-methyl-1H-imidazole-2,4-dicarboxylate
- IUPAC
- dimethyl 5-methyl-1H-imidazole-2,4-dicarboxylate
Names & synonyms
Dimethyl 5-methyl-1H-imidazole-2,4-dicarboxylate680623-63-6DTXSID30790669
Database identifiers
- CAS
680623-63-6- PubChem CID
- 71367553
- DTXSID
DTXSID30790669
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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