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189208-79-5 | Cyclopentanol, 2-methyl-, 1-methanesulfonate, (1R,2S)-rel-
CAS No: 189208-79-5 Catalog No: AG002I22 MDL No:
Product Description
Catalog Number:
AG002I22
Chemical Name:
Cyclopentanol, 2-methyl-, 1-methanesulfonate, (1R,2S)-rel-
CAS Number:
189208-79-5
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
IUPAC Name:
methanesulfonic acid;(1R,2S)-2-methylcyclopentan-1-ol
InChI:
InChI=1S/C6H12O.CH4O3S/c1-5-3-2-4-6(5)7;1-5(2,3)4/h5-7H,2-4H2,1H3;1H3,(H,2,3,4)/t5-,6+;/m0./s1
InChI Key:
FBOHHOIMRHOFBG-RIHPBJNCSA-N
SMILES:
C[C@H]1CCC[C@H]1OS(=O)(=O)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
196.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.261g/mol
Monoisotopic Mass:
196.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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