3,6-Dimethylbenzofuran
Basic information
- CAS
24410-50-2- Standard SMILES
Cc1ccc2c(C)coc2c1- InChIKey
VQIHEXZMNXLAFR-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- 3,6-Dimethylbenzofuran
- IUPAC
- 3,6-dimethyl-1-benzofuran
- English name
- Benzofuran,3,6-dimethyl-
- Molecular formula
- C10H10O
- Molecular weight
- 146.1858
Names & synonyms
3,6-DimethylbenzofuranBenzofuran, 3,6-dimethyl-24410-50-23,6-dimethyl-1-benzofuranNSC792583,6 dimethyl benzo[b]furanSCHEMBL4034664SCHEMBL5986723DTXSID20947286BENZOFURAN,3,6-DIMETHYL-MFCD16658158NSC-79258
Show more names
SY310508DS-010366
Database identifiers
- CAS
24410-50-2- PubChem CID
- 33107
- DTXSID
DTXSID20947286- Nikkaji
- J2.594.292B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 222 °C · 222°C (estimate)
- Density
- 1.0456 · 1.0456
- refractive index
- 1.5505 · 1.5505 (estimate)
- LogP
- 3.347 · 3.347 (est)
Chemistry & industry
Upstream & downstream products
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Compound notes
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