Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
Basic information
- CAS
69960-35-6- Standard SMILES
COC(=O)CCCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O- InChIKey
NQTUSAFAUNDDMR-UHFFFAOYSA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Names & identifiers
- Preferred name
- Methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
- IUPAC
- methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoate
Names & synonyms
69960-35-6methyl 4-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)butanoateNSC153371DTXSID00329743methyl 4-(1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanoateNSC-153371
Database identifiers
- CAS
69960-35-6- PubChem CID
- 423405
- DTXSID
DTXSID00329743- Nikkaji
- J896.760A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
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Related reactions
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Compound notes
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