Basic information
- CAS
2679-19-8- Standard SMILES
O=C1OC(=O)C2C1CC=CC2c1ccccc1- InChIKey
SISNVYGRWPGDFF-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-
- IUPAC
- 4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- English name
- 3-Phenyl-4-cyclohexene-1,2-dicarboxylic anhydride
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4-Cyclohexene-1,2-dicarboxylic anhydride, 3-phenyl-RefChem:10705544-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione2679-19-8NSC 783853-Phenyl-4-cyclohexene-1,2-dicarboxylic anhydrideNSC78385NCIOpen2_0042454-Cyclohexene-1, 3-phenyl-SCHEMBL10620196WLN: T56 BVOV GUTJ FRDTXSID30949599
Show more names
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-phenyl-
NSC-78385
Database identifiers
- CAS
2679-19-8- PubChem CID
- 98115
- DTXSID
DTXSID30949599- Nikkaji
- J55.436G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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