Basic information
- CAS
13594-91-7- Standard SMILES
O=C1OC(=O)C(=Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2- InChIKey
WLQGATXUBPNDGZ-UHFFFAOYSA-N- Molecular formula
- C20H12O7
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.05830272
Names & identifiers
- Preferred name
- 2,5-Furandione, 3,4-bis(1,3-benzodioxol-5-ylmethylene)dihydro-, (E,E)-
- IUPAC
- 3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolane-2,5-dione
Names & synonyms
13594-91-72,5-Furandione, 3,4-bis(1,3-benzodioxol-5-ylmethylene)dihydro-, (E,E)-DTXSID80327040NCI60_0088163,4-Bis[(2H-1,3-benzodioxol-5-yl)methylidene]oxolane-2,5-dione
Database identifiers
- CAS
13594-91-7- PubChem CID
- 363045
- DTXSID
DTXSID80327040
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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