Basic information
- CAS
17302-44-2- Standard SMILES
COc1cc(N=O)ccc1O- InChIKey
YJQITTWUTKLYOO-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- 2-Methoxy-4-nitrosophenol
- IUPAC
- 2-methoxy-4-nitrosophenol
- English name
- 4-(Hydroxyimino)-2-methoxy-2,5-cyclohexadien-1-one
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
2-methoxy-4-nitrosophenolDTXSID60131211119628-78-5RefChem:1063576DTXCID80174191817576-99-74-Hydroxyimino-2-methoxy-2,5-cyclohexadiene-1-one2,5-Cyclohexadien-1-one, 4-hydroxyimino-2-methoxy-2,5-Cyclohexadiene-1,4-dione, 2-methoxy-, 4-oximeNSC-2396492-Methoxy-p-benzoquinone-4-oxime2-methoxy-1,4-benzoquinone 4-oxime
Show more names
p-Benzoquinone, 2-methoxy-, 4-oximeNSC 2396494-Hydroxyimino-2-methoxy-2,5-cyclohexadien-1-one4-(Hydroxyimino)-2-methoxy-2,5-cyclohexadien-1-onePhenol, 2-methoxy-4-nitroso-NSC2396492,5-Cyclohexadiene-1,4-dione, 2-methoxy-, 4-monooxime4-Nitroso-2-methoxyphenol
Database identifiers
- CAS
17302-44-2、17576-99-7、19628-78-5- PubChem CID
- 99847
- DTXSID
DTXSID601312111- ChEMBL
CHEMBL3276925- UNII
- J4Y53S88LM
- Nikkaji
- J48.612D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 320.153 · 320.153±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.589 · 6.589±0.58(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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