Basic information
- CAS
791841-34-4- Standard SMILES
Cc1ccc(O)c(NC(=O)C2CCCC2)c1- InChIKey
OJBXHDAIRAATAN-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
Names & identifiers
- Preferred name
- N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
- IUPAC
- N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
- English name
- Cyclopentanecarboxamide, N-(2-hydroxy-5-methylphenyl)- (9CI)
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamideAO-548/43196619Cyclopentanecarboxamide, N-(2-hydroxy-5-methylphenyl)-Cyclopentanecarboxamide, N-(2-hydroxy-5-methylphenyl)- (9CI)
Database identifiers
- CAS
791841-34-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 403.8 · 403.8±33.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 9.7 · 9.70±0.48(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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