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3144-16-9 molecular structure
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[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid

ChemBase ID: 796418
Molecular Formular: C10H16O4S
Molecular Mass: 232.29664
Monoisotopic Mass: 232.07692999
SMILES and InChIs

SMILES:
C(S(=O)(=O)O)[C@@]12C([C@@H](CC1=O)CC2)(C)C
Canonical SMILES:
O=C1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)O)(C)C
InChI:
InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1
InChIKey:
MIOPJNTWMNEORI-GMSGAONNSA-N

Cite this record

CBID:796418 http://www.chembase.cn/molecule-796418.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid
IUPAC Traditional name
(R)-camphorsulfonic acid
Synonyms
((1S,4R)-7,7-DiMethyl-2-oxobicyclo[2.2.1]heptan-1-yl)Methanesulfonic acid
CAS Number
3144-16-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2732 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2732 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -0.8099843  H Acceptors
H Donor LogD (pH = 5.5) -1.3937413 
LogD (pH = 7.4) -1.393791  Log P 0.9826071 
Molar Refractivity 54.6607 cm3 Polarizability 22.475769 Å3
Polar Surface Area 71.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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