1-(4-Ethylphenyl)ethanone oxime
Basic information
- CAS
2089-32-9- Standard SMILES
CCc1ccc(C(C)=NO)cc1- InChIKey
VECGTLCRIQNAIB-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)ethanone oxime
- IUPAC
- N-[1-(4-ethylphenyl)ethylidene]hydroxylamine
- English name
- Acetophenone, 4-ethyl-, oxime
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
1-(4-Ethylphenyl)ethanone oximeN-[1-(4-ethylphenyl)ethylidene]hydroxylamineSCHEMBL7873597DTXSID501303741AKOS017263522H82270Acetophenone, 4-ethyl-, oxime1-(p-ethylphenyl)ethanone oximeEthanone, 1-(4-ethylphenyl)-, oxime
Database identifiers
- CAS
2089-32-9- PubChem CID
- 96197
- DTXSID
DTXSID501303741
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 81 °C · 81 °C(Solv: ethanol (64-17-5))
- Boiling point
- 272.9 · 272.9±19.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 11.5 · 11.50±0.70(Predicted)
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Compound notes
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