Basic information
- Standard SMILES
C=CCCc1cc(OC)cc(OC)c1- InChIKey
WJBLDXKATVPHHS-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-(But-3-en-1-yl)-3,5-dimethoxybenzene
- IUPAC
- 1-but-3-enyl-3,5-dimethoxybenzene
- English name
- 4-(3,5-DIMETHOXYPHENYL)-1-BUTENE
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
111540-02-41-(But-3-en-1-yl)-3,5-dimethoxybenzeneDTXSID50641220RefChem:226263DTXCID305919714-(3,5-DIMETHOXYPHENYL)-1-BUTENE1-But-3-enyl-3,5-dimethoxybenzeneMFCD098011961-(3-Buten-1-yl)-3,5-dimethoxybenzene1-but-3-enyl-3,5-dimethoxy-benzeneAKOS006328616SY408622
Show more names
Benzene, 1-(3-buten-1-yl)-3,5-dimethoxy-
DB-183889F200453
Database identifiers
- CAS
111540-02-4- PubChem CID
- 24721956
- DTXSID
DTXSID50641220
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 276 · 276.0±25.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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