Basic information
- CAS
83846-87-1- Standard SMILES
CCC(=O)Nc1cc(NC(=O)CC)cc(C(=O)O)c1- InChIKey
DWFNEOGXOLFRRK-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.111007
Names & identifiers
- Preferred name
- 3,5-Bis((1-oxopropyl)amino)benzoic acid
- IUPAC
- 3,5-bis(propanoylamino)benzoic acid
- English name
- 3,5-bis[(1-oxopropyl)amino]benzoic acid
- Molecular formula
- C13H16N2O4
- Molecular weight
- 264.28
Names & synonyms
83846-87-13,5-Bis((1-oxopropyl)amino)benzoic acidEINECS 281-067-53,5-BIS[(1-OXOPROPYL)AMINO]BENZOIC ACIDRefChem:91369281-067-53,5-bis(propanoylamino)benzoic acid3,5-bis(propionylamino)benzoic acidDWFNEOGXOLFRRK-UHFFFAOYSA-NDTXSID101003947HMS1590G22STK223875
Show more names
3,5-Di(propionylamino)benzoic acidBenzoic acid, 3,5-bis[(1-oxopropyl)amino]-
AKOS003303342NS000611833,5-Bis[(1-hydroxypropylidene)amino]benzoic acidSR-01000265559SR-01000265559-1
Database identifiers
- CAS
83846-87-1- PubChem CID
- 893385
- DTXSID
DTXSID101003947- EC Number
- 281-067-5
- Nikkaji
- J307.977E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…