4-Methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
Basic information
- CAS
1354954-25-8- Standard SMILES
COc1ccc(C(=O)O)cc1N1CCNC1=O- InChIKey
LIPDGLVHPHKJCM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- 4-Methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
- IUPAC
- 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
- English name
- 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid1354954-25-8EEC95425AKOS013055532CS-0263823EN300-90254G426064-methoxy-3-(2-oxoimidazolidin-1-yl)benzoicacidZ1154376172Benzoic acid, 4-methoxy-3-(2-oxo-1-imidazolidinyl)-
Database identifiers
- CAS
1354954-25-8- PubChem CID
- 54595451
- EC Number
- 883-563-2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Density
- 1.365 · 1.365±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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