2,3,4-Trimethylfuran
Basic information
- CAS
10599-57-2- Standard SMILES
Cc1coc(C)c1C- InChIKey
MNBYRCAFWIZFJM-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- 2,3,4-Trimethylfuran
- IUPAC
- 2,3,4-trimethylfuran
Names & synonyms
2,3,4-TRIMETHYLFURAN10599-57-2DTXSID70147456RefChem:81337DTXCID2069947MNBYRCAFWIZFJM-UHFFFAOYSA-N2,3,4-Trimethyl-furanSCHEMBL862533SCHEMBL2960318SCHEMBL11092331
Database identifiers
- CAS
10599-57-2- PubChem CID
- 25422
- DTXSID
DTXSID70147456- Nikkaji
- J1.549.117E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
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Compound notes
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