1,3-Benzodioxole-5-carboxaldehyde, O-(4-methylbenzoyl)oxime
Basic information
- CAS
306732-19-4- Standard SMILES
Cc1ccc(C(=O)ON=Cc2ccc3c(c2)OCO3)cc1- InChIKey
JDUZLFMHZGAIJL-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxaldehyde, O-(4-methylbenzoyl)oxime
- IUPAC
- (1,3-benzodioxol-5-ylmethylideneamino) 4-methylbenzoate
- English name
- 1,3-benzodioxole-5-carbaldehyde O-(4-methylbenzoyl)oxime
- Molecular formula
- C16H13NO4
- Molecular weight
- 283.28
Names & synonyms
DTXSID001190929HMS2512N101,3-Benzodioxole-5-carboxaldehyde, O-(4-methylbenzoyl)oxime({[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}oxy)(4-methylphenyl)methanone1,3-benzodioxole-5-carbaldehyde O-(4-methylbenzoyl)oxime
Database identifiers
- CAS
306732-19-4- PubChem CID
- 678352
- DTXSID
DTXSID001190929
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 432.542 · 432.542±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.258 · 1.258±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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