Oxalic acid, 2-octyl-1-imidazolyl ester
Basic information
- CAS
69928-39-8- Standard SMILES
CCCCCCCCc1nccn1OC(=O)C(=O)O- InChIKey
QLTBHWUAJLAJMI-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.14230712
Names & identifiers
- Preferred name
- Oxalic acid, 2-octyl-1-imidazolyl ester
- IUPAC
- 2-(2-octylimidazol-1-yl)oxy-2-oxoacetic acid
Names & synonyms
2-Octyldihydroglyoxaline acid oxalateOXALIC ACID, 2-OCTYL-1-IMIDAZOLYL ESTER69928-39-8DTXSID20220208RefChem:367075DTXCID80142699[(2-Octyl-1H-imidazol-1-yl)oxy](oxo)acetic acid
Database identifiers
- CAS
69928-39-8- PubChem CID
- 50934
- DTXSID
DTXSID20220208- Nikkaji
- J64.568K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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