Basic information
- CAS
70952-43-1- Standard SMILES
Cc1cc(N=O)c(NO)cc1C- InChIKey
LASCEAZGWNPLHL-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- N-(4,5-dimethyl-2-nitrosophenyl)hydroxylamine
- IUPAC
- N-(4,5-dimethyl-2-nitrosophenyl)hydroxylamine
- English name
- 3,5-Cyclohexadiene-1,2-dione, 4,5-dimethyl-, dioxime (9CI)
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
70952-43-1N-(4,5-dimethyl-2-nitrosophenyl)hydroxylamineNSC172608DTXSID50305916NSC-172608N-Hydroxy-4,5-dimethyl-2-nitrosoanilineDS-0139393,5-Cyclohexadiene-1,2-dione,4,5-dimethyl-, 1,2-dioxime3,5-Cyclohexadiene-1,2-dione, 4,5-dimethyl-, dioxime (9CI)
Database identifiers
- CAS
70952-43-1- PubChem CID
- 299522
- DTXSID
DTXSID50305916
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 358.159 · 358.159±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.231 · 1.231±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.961 · 8.961±0.20(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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