4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid

HCID 71832

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Basic information

CAS: 46365-05-3
Standard SMILES: CC12CCC(C(S(=O)(=O)O)C1=O)C2(C)C
InChIKey: LKTRVKICUSKZGA-UHFFFAOYSA-N
Molecular formula: C10H16O4S
Average molar mass: 232.3 g/mol
Monoisotopic mass: 232.07693016

Names & identifiers

Preferred name: 4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
IUPAC: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
English name: 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acid
Molecular formula: C10H16O4S
Molecular weight: 232.3

Names & synonyms

46365-05-34,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acidEINECS 256-264-4camphor-n-sulfonic acidSCHEMBL9304SCHEMBL2193002DTXSID20963562LKTRVKICUSKZGA-UHFFFAOYSA-NNS00089012SR-01000944991

Show more names

Bicyclo[2.2.1]heptane-2-sulfonic acid, 4,7,7-trimethyl-3-oxo-

SR-01000944991-1

Database identifiers

CAS: 46365-05-3
PubChem CID: 71832
DTXSID: DTXSID20963562
EC Number: 256-264-4
Nikkaji: J239.025F

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 417

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