(4-Cyano-3-methoxybenzoyl)propanedioic acid
Basic information
- CAS
102362-03-8- Standard SMILES
COc1cc(C(=O)C(C(=O)O)C(=O)O)ccc1C#N- InChIKey
HYSDLUXPFTUTTK-UHFFFAOYSA-N- Molecular formula
- C12H9NO6
- Average molar mass
- 263.2 g/mol
- Monoisotopic mass
- 263.04298701
Names & identifiers
- Preferred name
- (4-Cyano-3-methoxybenzoyl)propanedioic acid
- IUPAC
- 2-(4-cyano-3-methoxybenzoyl)propanedioic acid
Names & synonyms
DTXSID701254089(4-Cyano-3-methoxybenzoyl)propanedioic acid2-(4-Cyano-3-methoxybenzoyl)propanedioic acid102362-03-8
Database identifiers
- CAS
102362-03-8- PubChem CID
- 85530946
- DTXSID
DTXSID701254089
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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