Basic information
- CAS
113405-75-7- Standard SMILES
O=C1C=CC2C3CCC(C3)C12- InChIKey
CTAISZUVUFKTID-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a(or 3,3a,4,6,7,7a)-hexahydro-
- IUPAC
- tricyclo[5.2.1.02,6]dec-4-en-3-one
Names & synonyms
4,7-Methano-1H-indenoneTricyclo(5.2.1.02,6)dec-3-en-8(9)-one4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a(or 3,3a,4,6,7,7a)-hexahydro-RefChem:5083373a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-1-one27614-26-230930-42-8SCHEMBL19720135DTXSID50921059CTAISZUVUFKTID-UHFFFAOYSA-N113405-75-7
Database identifiers
- CAS
113405-75-7、27614-26-2- PubChem CID
- 119682
- DTXSID
DTXSID50921059- Nikkaji
- J1.665.534A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-5H-inden-5-one, 1,3a,4,6,7,7a(or 3,3a,4,6,7,7a)-hexahydro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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