Basic information
- CAS
2971-77-9- Standard SMILES
CCOc1c(C)ncc(C(=O)O)c1C(=O)O- InChIKey
ZHJMVAKIPNZZGD-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 5-Ethoxy-6-methylpyridine-3,4-dicarboxylic acid
- IUPAC
- 5-ethoxy-6-methylpyridine-3,4-dicarboxylic acid
- English name
- 3,4-Pyridinedicarboxylic acid, 5-ethoxy-6-methyl-
- Molecular formula
- C10H11NO5
- Molecular weight
- 225.2
Names & synonyms
5-ethoxy-6-methylpyridine-3,4-dicarboxylic acid2971-77-95-ethoxy-6-methylpyridine-3,4-dicarboxylicacid5-ethoxy-6-methyl-3,4-pyridinedicarboxylic acid3,4-Pyridinedicarboxylic acid, 5-ethoxy-6-methyl-
Database identifiers
- CAS
2971-77-9- PubChem CID
- 24976441
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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