Basic information
- CAS
22288-50-2- Standard SMILES
O=C(C=NO)c1ccc(O)cc1- InChIKey
QIMBQAFHVVTXTD-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Overview
Benzeneacetaldehyde, 4-hydroxy-alpha-oxo-, aldoxime has been reported in Penicillium olsonii with data available.
Names & identifiers
- Preferred name
- Benzeneacetaldehyde, 4-hydroxy-alpha-oxo-, aldoxime
- IUPAC
- 2-hydroxyimino-1-(4-hydroxyphenyl)ethanone
- English name
- 4-Hydroxy-alpha-oxo-benzeneacetaldehydealdoxime
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
22288-50-2Benzeneacetaldehyde, 4-hydroxy-alpha-oxo-, aldoximeBenzeneacetaldehyde, 4-hydroxy-.alpha.-oxo-, aldoximeDTXSID20734352-hydroxyimino-1-(4-hydroxyphenyl)ethanoneRefChem:117354DTXCID8036657p-hydroxyphenylglyoxal aldoximeSCHEMBL44522922-(Hydroxyimino)-1-(4-hydroxyphenyl)ethan-1-onePARA-HYDROXYPHENOLGLYOXALALDOXIME2-(p-hydroxyphenyl)glyoxal 1-oxiMe
Show more names
Benzeneacetaldehyde, 4-hydroxy-α-oxo-, 1-oxime
Database identifiers
- CAS
22288-50-2- PubChem CID
- 6400536
- DTXSID
DTXSID2073435
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 164 · 164-165 °C(Solv: water (7732-18-5))
- Boiling point
- 410.1 · 410.1±47.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 7.67 · 7.67±0.15(Predicted)
- EPA Substance Registry System
- 4 · Benzeneacetaldehyde, 4-hydroxy-.alpha.-oxo-, aldoxime (22288-50-2)
Chemistry & industry
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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