2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-
Basic information
- CAS
6974-47-6- Standard SMILES
CC(C=O)=Cc1ccc2c(c1)OCO2- InChIKey
VLNPUVFEUOBXDK-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 2-Propenal,3-(1,3-benzodioxol-5-YL)-2-methyl-
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal
- English name
- 3-(1,3-benzodioxol-5-yl)methacrylaldehyde
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
(2E)-3-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYLPROP-2-ENALSCHEMBL1254172AKOS017404915DS-0136242-PROPENAL,3-(1,3-BENZODIOXOL-5-YL)-2-METHYL-Nsc238702-Piperonylidenepropanal3-PiperonylidenepropanalPiperonylidene propionaldehyde3-(1,3-benzodioxol-5-yl)methacrylaldehyde3-(1,3-benzodioxol-5-yl)-2-methylpropenal3-(1,3-Benzodioxole-5-yl)-2-methylpropenal
Show more names
2-Propenal, 3-(1,3-benzodioxol-5-yl)-2-methyl-2-Methyl-3-(3,4-methylenedioxyphenyl)-2-propenal
Database identifiers
- CAS
6974-47-6- PubChem CID
- 95622
- DTXSID
DTXSID1064532
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 64 · 64-65 °C(Solvent: Isopropanol)
- Boiling point
- 150 · 150-155 °C(Press: 5 Torr)
- Density
- 1.225 · 1.225±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 2 · 2-Propenal, 3-(1,3-benzodioxol-5-yl)-2-methyl- (6974-47-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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