4-(2,4-Dimethoxyanilino)-4-oxobut-2-enoic acid
Basic information
- CAS
95695-51-5- Standard SMILES
COc1ccc(NC(=O)C=CC(=O)O)c(OC)c1- InChIKey
RZOGENBZVRGYHU-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxyanilino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
Names & synonyms
4-(2,4-dimethoxyanilino)-4-oxobut-2-enoic acid95695-51-5Maybridge3_005913SCHEMBL7814186DTXSID30351779
Database identifiers
- CAS
95695-51-5- PubChem CID
- 708944
- DTXSID
DTXSID30351779
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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