Basic information
- CAS
41426-05-5- Standard SMILES
O=C1CC(=O)C2C3C=CC(C3)C12- InChIKey
VBSDCIBSTOWSCP-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 3a,4,7,7a-Tetrahydro-1H-4,7-methanoindene-1,3(2H)-dione
- IUPAC
- tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
41426-05-5SCHEMBL448714DTXSID40544453VBSDCIBSTOWSCP-UHFFFAOYSA-N3a,4,7,7a-Tetrahydro-1H-4,7-methanoindene-1,3(2H)-dioneRCL T288233Tricyclo [5,2,1,02,6 ] dec-8-ene-3,5-dionerac-(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,3-dione
Database identifiers
- CAS
41426-05-5- PubChem CID
- 13587181
- DTXSID
DTXSID40544453- EC Number
- 106-141-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 275
Related reactions
1 records
Compound notes
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