4-(Cyclohexanecarboxamido)benzoic acid
Basic information
- CAS
180991-56-4- Standard SMILES
O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1- InChIKey
QOBMMAOTJBWMQO-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 4-(Cyclohexanecarboxamido)benzoic acid
- IUPAC
- 4-(cyclohexanecarbonylamino)benzoic acid
- English name
- 4-(cyclohexanecarboxamido)benzoic acid
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
4-(Cyclohexanecarboxamido)benzoic acid180991-56-44-[(cyclohexylcarbonyl)amino]benzoic acid4-(cyclohexanecarbonylamino)benzoic acid4-CYCLOHEXANEAMIDOBENZOIC ACIDMLS0000588074-(cyclohexylcarbonylamino)benzoic acidSMR000069073Cambridge id 5161118Oprea1_260566SCHEMBL694058cid_745733
Show more names
Benzoic acid, 4-[(cyclohexylcarbonyl)amino]-
CHEMBL1504683BDBM89695QOBMMAOTJBWMQO-UHFFFAOYSA-NDTXSID101272956HMS1613M22HMS2414E164-(Cyclohexanecarboxamido)benzoicacidMFCD00446990
Database identifiers
- CAS
180991-56-4- PubChem CID
- 745733
- DTXSID
DTXSID101272956- ChEMBL
CHEMBL1504683
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 494 · 494.0±28.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
17 records
Compound notes
Loading…