Oxalic acid, 2-pentyl-1-imidazolyl ester
Basic information
- CAS
69928-38-7- Standard SMILES
CCCCCc1nccn1OC(=O)C(=O)O- InChIKey
KHALCBUIXMVBKG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- Oxalic acid, 2-pentyl-1-imidazolyl ester
- IUPAC
- 2-oxo-2-(2-pentylimidazol-1-yl)oxyacetic acid
Names & synonyms
2-Amyldihydroglyoxaline acid oxalateOXALIC ACID, 2-PENTYL-1-IMIDAZOLYL ESTER69928-38-7DTXSID60220207RefChem:367076DTXCID20142698Oxo[(2-pentyl-1H-imidazol-1-yl)oxy]acetic acid
Database identifiers
- CAS
69928-38-7- PubChem CID
- 50933
- DTXSID
DTXSID60220207- Nikkaji
- J64.569I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…