2-Butanone, 1-(2-furyl)-3-methyl-
Basic information
- CAS
20907-04-4- Standard SMILES
CC(C)C(=O)Cc1ccco1- InChIKey
RFSKZVYZNCOJCE-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 2-Butanone, 1-(2-furyl)-3-methyl-
- IUPAC
- 1-(furan-2-yl)-3-methylbutan-2-one
- English name
- 1-(2-Furanyl)-3-methyl-2-butanone
- Molecular formula
- C9H12O2
- Molecular weight
- 152.19
Names & synonyms
2-Butanone, 1-(2-furyl)-3-methyl-20907-04-4DTXSID603370412-Butanone, 1-(2-furanyl)-3-methyl-RefChem:257785DTXCID00288129RFSKZVYZNCOJCE-UHFFFAOYSA-N1-(furan-2-yl)-3-methylbutan-2-oneSCHEMBL13546078AKOS0207620751-(2-Furyl)-3-methyl-2-butanone #1-(2-Furanyl)-3-methyl-2-butanone
Database identifiers
- CAS
20907-04-4- PubChem CID
- 538089
- DTXSID
DTXSID60337041- Nikkaji
- J113.989D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 201.6 · 201.6±15.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
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Compound notes
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