4-Methyl-2-oxo-1,2,5lambda~5~-oxadiazole-3-carboxylic acid
Basic information
- CAS
37132-22-2- Standard SMILES
Cc1no[n+]([O-])c1C(=O)O- InChIKey
ZMKWTRYUMWPYRZ-UHFFFAOYSA-N- Molecular formula
- C4H4N2O4
- Average molar mass
- 144.09 g/mol
- Monoisotopic mass
- 144.01710661
Names & identifiers
- Preferred name
- 4-Methyl-2-oxo-1,2,5lambda~5~-oxadiazole-3-carboxylic acid
- IUPAC
- 4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylic acid
Names & synonyms
37132-22-2NSC234500DTXSID203109364-Methyl-2-oxo-1,2,5lambda~5~-oxadiazole-3-carboxylic acidNSC-2345004-Methyl-2-oxo-1,2lambda~5~,5-oxadiazole-3-carboxylic acid
Database identifiers
- CAS
37132-22-2- PubChem CID
- 314770
- DTXSID
DTXSID20310936
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
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Compound notes
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