(1S,2S,4R)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Basic information
- CAS
474-10-2- Standard SMILES
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O- InChIKey
KJKODDSNIDHCKV-XLPZGREQSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- (1S,2S,4R)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- (1S,2S,4R)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Names & synonyms
474-10-2KJKODDSNIDHCKV-XLPZGREQSA-NDTXSID401164356(1S,2S,4R)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acidrel-(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Database identifiers
- CAS
474-10-2- PubChem CID
- 11492003
- DTXSID
DTXSID401164356- EC Number
- 207-480-2
- Nikkaji
- J690.868C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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