Basic information
- CAS
39488-07-8- Standard SMILES
CC(=O)COc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1- InChIKey
ULLDGUHBHPHDHS-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-oxopropoxy)phenyl)-
- IUPAC
- 4-[4-(2-oxopropoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
BRN 15013533a,4,7,7a-Tetrahydro-2-(4-(2-oxopropoxy)phenyl)-4,7-methano-1H-isoindole-1,3(2H)-dione39488-07-85-21-10-00186 (Beilstein Handbook Reference)4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-oxopropoxy)phenyl)-N-(4-Acetonyloksyfenylo)-imid kwasu cis-3,6-endometyleno-1,2,3,6-tetrahydroftalowego [Polish]N-(4-Acetonyloksyfenylo)-imid kwasu cis-3,6-endometyleno-1,2,3,6-tetrahydroftalowegoRefChem:2861292-[4-(2-oxopropoxy)phenyl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dioneDTXSID80960113
Database identifiers
- CAS
39488-07-8- PubChem CID
- 217692
- DTXSID
DTXSID80960113
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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