Basic information
- CAS
3347-48-6- Standard SMILES
CC(C)Cc1ccc(CC(=O)NO)cc1- InChIKey
KXWBJMRKTBNVNY-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Acetohydroxamic acid, 2-(p-isobutylphenyl)-
- IUPAC
- N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
- English name
- 2-[4-(2-Methylpropyl)phenyl]acetohydroxamic acid
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
2-(p-Isobutylphenyl)acetohydroxamic acidBRN 1956776ACETOHYDROXAMIC ACID, 2-(p-ISOBUTYLPHENYL)-3347-48-6DTXSID30187116RefChem:316795DTXCID40109607N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamideBenzeneacetamide, N-hydroxy-4-(2-methylpropyl)-2-[4-(2-Methylpropyl)phenyl]acetohydroxamic acid
Database identifiers
- CAS
3347-48-6- PubChem CID
- 18772
- DTXSID
DTXSID30187116- Nikkaji
- J55.172D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 145 · 145-146 °C
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 9.17 · 9.17±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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