Basic information
- CAS
27742-33-2- Standard SMILES
O=C1C2C3C=CC(O3)C2C(=O)N1c1ccccc1- InChIKey
PUHQMJSQZPUXJP-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 2-Phenyl-3a,4,7,7a-tetrahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
- IUPAC
- 2-phenyl-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
- English name
- 2-phenyl-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dion.
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
27742-33-22-phenyl-3a,4,7,7a-tetrahydro-1h-4,7-epoxyisoindole-1,3(2h)-dioneDTXSID70288212RefChem:265257DTXCID60239359NSC54754Oprea1_206578Oprea1_716146SCHEMBL1104574NSC56983NSC-54754NSC-56983
Show more names
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-2-phenyl-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dion.
AKOS000470557AKOS025250087SDCCGMLS-0065388.P001DB-122495N-phenyl-7-oxanorbornene-5,6-dicarboximideAB00083745-01
Database identifiers
- CAS
27742-33-2- PubChem CID
- 244142
- DTXSID
DTXSID70288212- Nikkaji
- J3.200.257I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 163 · 163-165 °C
- Boiling point
- 498.6 · 498.6±45.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- -11.28 · -11.28±0.20(Predicted)
Chemistry & industry
Suppliers3 total
济南偶联医药科技有限公司15953106631 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…