Basic information
- CAS
3447-79-8- Standard SMILES
CC(=O)c1oc2ccc(C3=CC(=O)OC3)cc2c1C- InChIKey
NVRKEBYMSCNBSF-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- 4-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one
- IUPAC
- 3-(2-acetyl-3-methyl-1-benzofuran-5-yl)-2H-furan-5-one
- English name
- 4-(2-acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25
Names & synonyms
3447-79-84-(2-Acetyl-3-methyl-5-benzofuryl)furan-2(5H)-one3-(2-acetyl-3-methyl-1-benzofuran-5-yl)-2H-furan-5-one4-(2-Acetyl-3-methylbenzofuran-5-yl)furan-2(5H)-oneEINECS 222-366-24-(2-acetyl-3-methyl-1-benzofuran-5-yl)furan-2(5h)-oneDTXSID20188036NVRKEBYMSCNBSF-UHFFFAOYSA-NNS000296724-(2-Acetyl-3-methylbenzofuran-5-yl)-2(5H)-furanone2(5H)-Furanone, 4-(2-acetyl-3-methyl-5-benzofuranyl)-
Database identifiers
- CAS
3447-79-8- PubChem CID
- 76986
- DTXSID
DTXSID20188036- EC Number
- 222-366-2
- Nikkaji
- J216.124I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 221 · 221-222 °C
- Boiling point
- 481.9 · 481.9±45.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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