Basic information
- CAS
23571-51-9- Standard SMILES
Cc1cnc([N+](=O)[O-])n1CC(=O)O- InChIKey
XTWAAJAXJLPIMX-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- Imidazole-1-acetic acid, 5-methyl-2-nitro-
- IUPAC
- 2-(5-methyl-2-nitroimidazol-1-yl)acetic acid
Names & synonyms
23571-51-9Imidazole-1-acetic acid, 5-methyl-2-nitro-5-Methyl-2-nitroimidazole-1-acetic acidDTXSID70178205RefChem:348888DTXCID601006962-(5-Methyl-2-nitro-1H-imidazol-1-yl)acetic acid(5-methyl-2-nitro-1h-imidazol-1-yl)acetic acid
Database identifiers
- CAS
23571-51-9- PubChem CID
- 211784
- DTXSID
DTXSID70178205
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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