Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)O)cc(C)n1- InChIKey
DFXHIZLLYHWIOK-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
Names & identifiers
- Preferred name
- 2-(Methoxycarbonyl)-6-methylisonicotinic acid
- IUPAC
- 2-methoxycarbonyl-6-methylpyridine-4-carboxylic acid
Names & synonyms
2-(METHOXYCARBONYL)-6-METHYLISONICOTINIC ACID1137881-93-6SCHEMBL2719086DFXHIZLLYHWIOK-UHFFFAOYSA-NMFCD22545300AB79557SY346035DB-1338752-methoxycarbonyl-6-methyl-pyridine-4-carboxylic acid
Database identifiers
- PubChem CID
- 59570879
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Related reactions
6 records
Compound notes
Loading…