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46365-22-4
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Basic Information
CAS No.: 46365-22-4
Name: (1S-endo)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acid
Molecular Structure:
Molecular Structure of 46365-22-4 ((1S-endo)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulphonic acid)
Formula: C10H16O4S
Molecular Weight: 232.301
Synonyms: (1S,2S,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid;(1S-endo)-4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid;Bicyclo[2.2.1]heptane-2-sulfonic acid, 4,7,7-trimethyl-3-oxo-, (1S,2S,4R)-;
EINECS: 256-266-5
Density: 1.34 g/cm3
PSA: 79.82000
LogP: 2.34880
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Specification

The Bicyclo[2.2.1]heptane-2-sulfonicacid, 4,7,7-trimethyl-3-oxo-, (1S,2S,4R)-, with the CAS registry number 46365-22-4, is also known as (1S-endo)-4,7,7-Trimethyl-3-oxobicyclo(2.2.1)heptane-2-sulphonic acid. The molecular formula of this chemical is C10H16O4S and molecular weight is 232.2966. Its systematic name is (1S,2S,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid. What's more, it should be stored in condition of cold and dry. 

Physical properties about Bicyclo[2.2.1]heptane-2-sulfonicacid, 4,7,7-trimethyl-3-oxo-, (1S,2S,4R)- are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 79.82 Å2; (11)Index of Refraction: 1.545; (11)Molar Refractivity: 54.7 cm3; (12)Molar Volume: 172.9 cm3; (13)Polarizability: 21.68×10-24 cm3; (14)Surface Tension: 50.8 dyne/cm; (15)Density: 1.34 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CC2(C)[C@@H]1CC[C@@]2(C)C(=O)[C@H]1S(O)(=O)=O
(2) InChI: InChI=1/C10H16O4S/c1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h6-7H,4-5H2,1-3H3,(H,12,13,14)/t6-,7+,10+/m1/s1
(3) InChIKey: LKTRVKICUSKZGA-FWWHASMVBW