Basic information
- CAS
914225-75-5- Standard SMILES
Cc1cncc(C(=O)O)[n+]1[O-]- InChIKey
DNRXJHATQULEHC-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Overview
6-methyl-1-oxido-pyrazin-1-ium-2-carboxylic acid is a pyrazinecarboxylic acid.
Names & identifiers
- Preferred name
- 6-Methyl-1-oxido-pyrazin-1-ium-2-carboxylic acid
- IUPAC
- 6-methyl-1-oxidopyrazin-1-ium-2-carboxylic acid
Names & synonyms
6-methyl-1-oxido-pyrazin-1-ium-2-carboxylic acid6-methyl-1-oxidopyrazin-1-ium-2-carboxylic acidSCHEMBL1649652CHEMBL1729589CHEBI:156256AKOS015895940914225-75-5
Database identifiers
- CAS
914225-75-5- PubChem CID
- 39880
- DTXSID
DTXSID401250595- ChEMBL
CHEMBL1729589- ChEBI
CHEBI:156256
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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