2,3,4-Trimethoxybenzaldehyde oxime
Basic information
- CAS
15258-55-6- Standard SMILES
COc1ccc(C=NO)c(OC)c1OC- InChIKey
ZWGRTKBQWHZYFL-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- 2,3,4-Trimethoxybenzaldehyde oxime
- IUPAC
- N-[(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
- English name
- 2,3,4-Trimethoxybenzaldehyde oxime
- Molecular formula
- C10H13NO4
- Molecular weight
- 211.21
Names & synonyms
2,3,4-Trimethoxybenzaldehyde oxime15258-55-6N-[(2,3,4-trimethoxyphenyl)methylidene]hydroxylamineEINECS 239-298-4Oprea1_860196SCHEMBL27984914DTXSID50934548ZWGRTKBQWHZYFL-UHFFFAOYSA-NAKOS017263867Benzaldehyde, 2,3,4-trimethoxy-, oxime2,3,4-TRIMETHOXYBENZALDOXIME(NE)-N-[(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
Database identifiers
- CAS
15258-55-6- PubChem CID
- 84855
- DTXSID
DTXSID50934548- EC Number
- 239-298-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 77 · 77-79 °C(Solvent: Water)
- Boiling point
- 321.514 · 321.514±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.148 · 1.148±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.872 · 10.872±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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