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Basic information
- CAS
10599-72-1- Standard SMILES
CC(=O)c1c(C)oc(C)c1C(C)=O- InChIKey
RAASFOAHTSHSKN-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone
- IUPAC
- 1-(4-acetyl-2,5-dimethylfuran-3-yl)ethanone
Names & synonyms
1,1'-(2,5-Dimethylfuran-3,4-diyl)diethanone10599-72-11-(4-acetyl-2,5-dimethylfuran-3-yl)ethan-1-one2,5-Dimethyl-3,4-diacetylfuran1,1'-(2,5-dimethylfuran-3,4-diyl)bis(ethan-1-one)2,4-diacetylfuranNSC254149Cambridge id 5511293Ethanone, 1,1'-(2,5-dimethyl-3,4-furandiyl)bis-SCHEMBL11843818DTXSID90312407RAASFOAHTSHSKN-UHFFFAOYSA-N
Show more names
AKOS002793796NSC-254149SB61253Ethanone,1'-(2,5-dimethyl-3,4-furandiyl)bis-1,1'-(2,5-Dimethylfuran-3,4-diyl)di(ethan-1-one)
Database identifiers
- CAS
10599-72-1- PubChem CID
- 318285
- DTXSID
DTXSID90312407- Nikkaji
- J1.217.352K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Chemistry & industry
Suppliers1 total
南京芊亿达新材料科技有限公司15384069853
Related reactions
1 records
Compound notes
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