Fumaryldithranol
Basic information
- CAS
125379-01-3- Standard SMILES
O=C(O)/C=C/C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21- InChIKey
QIDYYOQFMAOCIR-HFPMQDOPSA-N- Molecular formula
- C18H12O6
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.0633881
Overview
structure given in first source
Names & identifiers
- Preferred name
- Fumaryldithranol
- IUPAC
- (E)-4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobut-2-enoic acid
- English name
- fumaryldithranol
- Molecular weight
- 0
Names & synonyms
FumaryldithranolFumaryl dithranol125379-01-3RefChem:1416612-Butenoic acid, 4-(9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl)-4-oxo-, (E)-
Database identifiers
- CAS
125379-01-3- PubChem CID
- 6439211
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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