1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
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Basic information
- CAS
4773-89-1- Standard SMILES
O=C1OC(=O)C2=C1CC=CC2- InChIKey
XCGJCRKHWHYKIE-UHFFFAOYSA-N- Molecular formula
- C8H6O3
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.03169405
Names & identifiers
- Preferred name
- 1,4-Cyclohexadiene-1,2-dicarboxylic anhydride
- IUPAC
- 4,7-dihydro-2-benzofuran-1,3-dione
- English name
- 1,4-CYCLOHEXADIENE-1,2-DICARBOXYLIC ANHYDRIDE
- Molecular formula
- C8H6O3
- Molecular weight
- 150.13
Names & synonyms
4773-89-11,4-Cyclohexadiene-1,2-dicarboxylic anhydride1,3-Isobenzofurandione, 4,7-dihydro-DTXSID00197262NSC 122938Cyclohexa-1,4-diene-1,2-dicarboxylic acid, anhydrideRefChem:73172DTXCID10119753XCGJCRKHWHYKIE-UHFFFAOYSA-N4,7-Dihydro-2-benzofuran-1,3-dione1,4-CYCLOHEXADIENE-1,2-DICARBOXYLICANHYDRIDE4,7-dihydroisobenzofuran-1,3-dione
Show more names
TIMTEC-BB SBB0084413,6-DIHYDROPHTHALIC ANHYDRIDE ---CRYSTALLINE---
3,6-Dihydrophthalic anhydrideNSC122938SCHEMBL1045077isobenzofuran-1,3(4H,7H)-dioneSBB008441AKOS006274922NSC-1229384,7-Dihydro-2-benzofuran-1,3-dione #
Database identifiers
- CAS
4773-89-1- PubChem CID
- 138348
- DTXSID
DTXSID00197262- EC Number
- 105-761-3
- Nikkaji
- J640.893A
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 135 °C · 135 °C(Press: 0.001 Torr)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
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Related reactions
1 records
Compound notes
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