1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
Basic information
- CAS
80453-42-5- Standard SMILES
COc1cc(OC)c2c(c1)OC(=C(C)C)C(=O)O2- InChIKey
RUSOQDVMBDLJIA-UHFFFAOYSA-N- Molecular formula
- C13H14O5
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08412354
Overview
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)- has been reported in Calea jamaicensis with data available.
Names & identifiers
- Preferred name
- 1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
- IUPAC
- 5,7-dimethoxy-2-propan-2-ylidene-1,4-benzodioxin-3-one
- English name
- 6,8-Dimethoxy-3-(1-methylethylidene)-1,4-benzodioxin-2(3H)-one
- Molecular formula
- C13H14O5
- Molecular weight
- 250.25
Names & synonyms
80453-42-51,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-DTXSID102303365,7-dimethoxy-2-propan-2-ylidene-1,4-benzodioxin-3-oneRefChem:73105DTXCID101528276,8-Dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2(3H)-oneCaleteucrin6,8-Dimethoxy-3-(1-methylethylidene)-1,4-benzodioxin-2(3H)-one
Database identifiers
- CAS
80453-42-5- PubChem CID
- 157649
- DTXSID
DTXSID10230336- Nikkaji
- J146.666F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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