(1S-endo)-4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid
Basic information
- CAS
46365-22-4- Standard SMILES
CC12CC[C@H](C(S(=O)(=O)O)C1=O)C2(C)C- InChIKey
LKTRVKICUSKZGA-AFKSGGFBSA-N- Molecular formula
- C10H16O4S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.07693016
Names & identifiers
- Preferred name
- (1S-endo)-4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid
- IUPAC
- (1S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
Names & synonyms
46365-22-4EINECS 256-266-5(1S-endo)-4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid(1S-endo)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acidLKTRVKICUSKZGA-AFKSGGFBSA-N
Database identifiers
- CAS
46365-22-4- PubChem CID
- 6452053
- EC Number
- 256-266-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 417
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Compound notes
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