2-Phenylbenzo-1,4-quinone 4-oxime
Basic information
- CAS
36697-36-6- Standard SMILES
O=Nc1ccc(O)c(-c2ccccc2)c1- InChIKey
XKHOQEUNRDAGCR-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 2-Phenylbenzo-1,4-quinone 4-oxime
- IUPAC
- 4-nitroso-2-phenylphenol
- English name
- 2-Phenyl-[1,4]benzoquinone 4-oxime
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
2-Phenylbenzo-1,4-quinone 4-oxime36697-36-6DTXSID90345912RefChem:265329DTXCID402969855-Nitroso-biphenyl-2-ol4-nitroso-2-phenylphenol2-Phenyl-2,5-cyclohexadiene-1,4-dione, 4-oximeKYUXQFWLNBQMGH-RAXLEYEMSA-NNBA10496AKOS006291112DB-229197
Show more names
2-Phenyl-[1,4]benzoquinone 4-oxime
(4Z)-2-Phenyl-2,5-cyclohexadiene-1,4-dione 4-oxime #
Database identifiers
- CAS
36697-36-6- PubChem CID
- 608012
- DTXSID
DTXSID90345912
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 395.096 · 395.096±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.186 · 1.186±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.83 · 6.830±0.58(predicted)
- Comptox DTXSID
- 90345912 · DTXSID90345912
- HS Code
- 2928000090 · 2928000090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2928000090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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