4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione
Basic information
- CAS
606-39-3- Standard SMILES
O=C1OC(=O)c2c(O)cc(O)c(=O)cc21- InChIKey
IECSWTFJOUGQFO-UHFFFAOYSA-N- Molecular formula
- C9H4O6
- Average molar mass
- 208.12 g/mol
- Monoisotopic mass
- 208.00078784
Overview
Stipitatonic acid is a cyclic dicarboxylic anhydride and a cycloheptafuran. It is a conjugate acid of a stipitaton-4-olate.
Names & identifiers
- Preferred name
- 4,7-Dihydroxy-1H-cyclohepta(c)furan-1,3,6-trione
- IUPAC
- 6,8-dihydroxycyclohepta[c]furan-1,3,5-trione
Names & synonyms
Stipitatonic acidStiptatonic acid606-39-3StipitatonateIXT44W5O7C6,8-dihydroxycyclohepta[c]furan-1,3,5-trioneNSC-1497724,7-Dihydroxy-1H-cyclohepta[c]furan-1,3,6-trioneCHEBI:16445DTXSID502094051H-Cyclohepta(c)furan-1,3,6-trione, 4,7-dihydroxy-1,3,6-Cycloheptatriene-1,2-dicarboxylic anhydride, 3,6-dihydroxy-5-oxo-
Show more names
4,7-DIHYDROXY-1H-CYCLOHEPTA(C)FURAN-1,3,6-TRIONE6,8-dihydroxycyclohepta(c)furan-1,3,5-trioneRefChem:185789DTXCID30131896NSC1497723,6-dihydroxy-5-oxo-1,3,6-cycloheptatriene-1,2-dicarboxylic anhydride3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylic anhydrideNSC 149772
Database identifiers
- CAS
606-39-3- PubChem CID
- 98579
- DTXSID
DTXSID50209405- ChEBI
CHEBI:16445- UNII
- IXT44W5O7C
- Nikkaji
- J838.842C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 491
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Related reactions
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Compound notes
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