2-(3-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
5404-60-4- Standard SMILES
COc1cccc(N2C(=O)C3CCCCC3C2=O)c1- InChIKey
JVUKKNOWOTVVQP-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- 2-(3-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(3-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Names & synonyms
2-(3-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione5404-60-4STK017790DTXSID403858282-(3-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dioneAKOS000343831AKOS022083045AB00084172-01
Database identifiers
- CAS
5404-60-4- PubChem CID
- 2844951
- DTXSID
DTXSID40385828
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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