6-(4-Methoxyphenyl)-2,3-pyridinedicarboxylic acid
Basic information
- CAS
937614-37-4- Standard SMILES
COc1ccc(-c2ccc(C(=O)O)c(C(=O)O)n2)cc1- InChIKey
PUGSGOBJOQENEM-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 6-(4-Methoxyphenyl)-2,3-pyridinedicarboxylic acid
- IUPAC
- 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
Names & synonyms
6-(4-Methoxyphenyl)-2,3-pyridinedicarboxylic acidDTXSID901234045AKOS000277185937614-37-46-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
Database identifiers
- CAS
937614-37-4- PubChem CID
- 16637669
- DTXSID
DTXSID901234045
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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