Basic information
- Standard SMILES
CCc1[nH]c(=O)[nH]c1C(=O)O- InChIKey
BIIBLAGNYXUUEI-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Names & identifiers
- Preferred name
- 5-Ethyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid
- IUPAC
- 5-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
- English name
- 1H-Imidazole-4-carboxylicacid,5-ethyl-2,3-dihydro-2-oxo-(9CI)
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.14
Names & synonyms
101184-10-55-ETHYL-2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID5-ETHYL-2-OXO-1,3-DIHYDROIMIDAZOLE-4-CARBOXYLIC ACID5-Ethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid1H-Imidazole-4-carboxylicacid,5-ethyl-2,3-dihydro-2-oxo-(9CI)BIIBLAGNYXUUEI-UHFFFAOYSA-N1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-ETHYL-2,3-DIHYDRO-2-OXO-SCHEMBL7341880DTXSID505504092,3-dihydro-5-ethyl-2-oxo-1H-imidazole-4-carboxylic acid
Database identifiers
- CAS
101184-10-5- PubChem CID
- 13815989
- DTXSID
DTXSID50550409
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 6.92 · 6.92±0.20(Predicted)
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
7 records
Linked notes
Loading…