Basic information
- CAS
16820-39-6- Standard SMILES
Cc1ccc2c(C)c(C=O)oc2c1- InChIKey
RCAUZJGALLIUPL-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1-benzofuran-2-carbaldehyde
- IUPAC
- 3,6-dimethyl-1-benzofuran-2-carbaldehyde
- English name
- 3,6-DIMETHYL-BENZOFURAN-2-CARBALDEHYDE
- Molecular formula
- C11H10O2
- Molecular weight
- 174.2
Names & synonyms
16820-39-63,6-dimethyl-1-benzofuran-2-carbaldehyde3,6-Dimethylbenzofuran-2-carbaldehyde3,6-Dimethyl-benzofuran-2-carbaldehyde3,6-dimethylbenzo[b]furan-2-carbaldehydeSCHEMBL14809632DTXSID30406076MFCD06496261SBB017975STL282492AKOS000267934CS-0324215
Show more names
AKOS A0602-0087AKOS BBS-00000040OTAVA-BB 7118560415IFLAB-BB F3055-06193,6-DIMETHYL-2-BENZOFURANCARBOXALDEHYDE2-BENZOFURANCARBOXALDEHYDE, 3,6-DIMETHYL-
ST50114933
Database identifiers
- CAS
16820-39-6- PubChem CID
- 4736733
- DTXSID
DTXSID30406076
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 76 · 76-78 °C(Solv: methanol, 80% (67-56-1))
- Boiling point
- 295 · 295.0±35.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
赛纳斯特化学（欢迎点击联系）021-60343070
上海美迪西生物医药股份有限公司021-50822001 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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