Basic information
- CAS
394225-32-2- Standard SMILES
COc1ccc(NC(=O)CCC(=O)O)c(OC)c1- InChIKey
ATYXNDMCQKEELI-UHFFFAOYSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- 4-(2,4-Dimethoxyanilino)-4-oxobutanoic acid
- IUPAC
- 4-(2,4-dimethoxyanilino)-4-oxobutanoic acid
- English name
- 4-(2,4-dimethoxyanilino)-4-oxobutanoic acid
- Molecular formula
- C12H15NO5
- Molecular weight
- 253.25
Names & synonyms
4-(2,4-dimethoxyanilino)-4-oxobutanoic acid4-[(2,4-dimethoxyphenyl)amino]-4-oxobutanoic acid4-((2,4-dimethoxyphenyl)amino)-4-oxobutanoic acidCambridge id 72674663-[(2,4-dimethoxyphenyl)carbamoyl]propanoic AcidOprea1_518545Oprea1_707945STK215302AKOS002675954394225-32-2ST102974ST45160959
Show more names
Butanoic acid, 4-[(2,4-dimethoxyphenyl)amino]-4-oxo-
AF-399/11380377SR-010002568783-[N-(2,4-dimethoxyphenyl)carbamoyl]propanoic acidSR-01000256878-1
Database identifiers
- CAS
394225-32-2- PubChem CID
- 2063686
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 487.2 · 487.2±40.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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