Basic information
- CAS
3698-35-9- Standard SMILES
C=CCc1c(OC)cccc1OC- InChIKey
FQXWJEKXPIMZAP-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 3-(2,6-Dimethoxyphenyl)-1-propene
- IUPAC
- 1,3-dimethoxy-2-prop-2-enylbenzene
- English name
- 3-(2,6-DIMETHOXYPHENYL)-1-PROPENE
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
3698-35-93-(2,6-DIMETHOXYPHENYL)-1-PROPENE1,3-dimethoxy-2-prop-2-enylbenzene2-allyl-1,3-dimethoxybenzeneMFCD098011871,3-DIMETHOXY-2-(PROP-2-EN-1-YL)BENZENEBenzene, 1,3-dimethoxy-2-(2-propenyl)-1,3-Dimethoxy-2-(2-propenyl)benzene1,3-dimethoxy-2-prop-2-enyl-benzeneSCHEMBL2845228SCHEMBL46365802-allyl-1,3-dimethoxy-benzene
Show more names
1,3-Dimethoxy-2-(2-propen-1-yl)benzeneBenzene, 1,3-dimethoxy-2-(2-propen-1-yl)-
DTXSID90190469BDBM1927602-Allyl-1,3-dimethoxybenzene (6)AKOS006328405DB-182584CS-0267245EN300-698340F200442
Database identifiers
- CAS
3698-35-9- PubChem CID
- 3014232
- DTXSID
DTXSID90190469- Nikkaji
- J471.536E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 60 °C · 60 °C(Press: 0.05 Torr)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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