Basic information
- CAS
591212-74-7- Standard SMILES
O=Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1- InChIKey
FIOXJOBCBWJAGW-UHFFFAOYSA-N- Molecular formula
- C13H8O4
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.04225873
Names & identifiers
- Preferred name
- 5-(3-Oxo-1,3-dihydro-2-benzofuran-5-YL)-2-furaldehyde
- IUPAC
- 5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-carbaldehyde
- English name
- CHEMBRDG-BB 6719154
- Molecular formula
- C13H8O4
- Molecular weight
- 228.2
Names & synonyms
591212-74-75-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURALDEHYDE5-(3-Oxo-1,3-dihydroisobenzofuran-5-yl)furan-2-carbaldehyde5-(3-oxo-1H-2-benzofuran-5-yl)furan-2-carbaldehydeMFCD029079755-(3-oxohydroisobenzofuran-5-yl)furan-2-carbaldehydeOprea1_341783DTXSID70350165AKOS003255395BS-38264ST053115DB-185272
Show more names
CHEMBRDG-BB 67191542-Furancarboxaldehyde, 5-(1,3-dihydro-3-oxo-5-isobenzofuranyl)-5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-furaldehyde(SALTDATA: FREE)
F3151505-(3-oxo-1H-isobenzofuran-5-yl)furan-2-carbaldehyde5-(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-carbaldehyde
Database identifiers
- CAS
591212-74-7- PubChem CID
- 675035
- DTXSID
DTXSID70350165
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 501.1 · 501.1±50.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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