Basic information
- CAS
68039-79-2- Standard SMILES
COC(=O)C1CCC2C3CCC(C3)C12- InChIKey
VFUFLBSJNLHZJW-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
- IUPAC
- methyl tricyclo[5.2.1.02,6]decane-3-carboxylate
Names & synonyms
68039-79-2EINECS 268-287-7Methyl tricyclo(5.2.1.02,6)decane-3(4)-carboxylate4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl esterRefChem:96764Methyl octahydro-4,7-methano-1H-indenecarboxylateNS00064650
Database identifiers
- CAS
68039-79-2- PubChem CID
- 109136
- EC Number
- 268-287-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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