6,7-dimethoxy-4H-isochromene-1,3-dione
Basic information
- CAS
5653-42-9- Standard SMILES
COc1cc2c(cc1OC)C(=O)OC(=O)C2- InChIKey
AATKSLBQUSPGJS-UHFFFAOYSA-N- Molecular formula
- C11H10O5
- Average molar mass
- 222.19 g/mol
- Monoisotopic mass
- 222.05282342
Names & identifiers
- Preferred name
- 6,7-dimethoxy-4H-isochromene-1,3-dione
- IUPAC
- 6,7-dimethoxy-4H-isochromene-1,3-dione
- English name
- 6,7-DiMethoxy-isochroMan-1,3-dione
- Molecular formula
- C11H10O5
- Molecular weight
- 222.19
Names & synonyms
5653-42-96,7-dimethoxy-4H-isochromene-1,3-dione6,7-DiMethoxy-isochroMan-1,3-dione6,7-dimethoxyisochromane-1,3-dioneNSC3549716,7-Dimethoxyisochroman-1,3-dione6,7-Dimethoxy-1H-2-benzopyran-1,3(4H)-dione6,7-dimethoxy-1H-isochromene-1,3(4H)-dione6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1,3-dione1H-2-Benzopyran-1,3(4H)-dione, 6,7-dimethoxy-SCHEMBL669908SCHEMBL31410961
Show more names
6,7-DIMETHOXY-1H-ISOCHROMENE-1,3(4H)-DIONE(WXG02926)
DTXSID20320095AATKSLBQUSPGJS-UHFFFAOYSA-N4,5-dimethoxyhomophthalic anhydrideAKOS001769668NSC-354971DB-186154
Database identifiers
- CAS
5653-42-9- PubChem CID
- 337325
- DTXSID
DTXSID20320095- Nikkaji
- J1.431.128I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 415.3 · 415.3±45.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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