3,4-Methylendioxy-5-methoxy-1-propenylbenzol
Basic information
- CAS
487-62-7- Standard SMILES
CC=Cc1cc(OC)c2c(c1)OCO2- InChIKey
DHUZAAUGHUHIDS-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3,4-Methylendioxy-5-methoxy-1-propenylbenzol
- IUPAC
- 4-methoxy-6-prop-1-enyl-1,3-benzodioxole
- English name
- 1,3-Benzodioxole, 4-methoxy-6-(1-propen-1-yl)-
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
AKOS0302411684-methoxy-6-prop-1-enyl-1,3-benzodioxole3,4-Methylendioxy-5-methoxy-1-propenylbenzol4-METHOXY-6-(PROP-1-EN-1-YL)-2H-1,3-BENZODIOXOLE1,3-Benzodioxole, 4-methoxy-6-(1-propen-1-yl)-
Database identifiers
- CAS
487-62-7- PubChem CID
- 87576
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 289.3 · 289.3±9.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Isomyristicin is a member of benzodioxoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…