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150849-43-7 | Cyclohexanepropanol, 1-methanesulfonate
CAS No: 150849-43-7 Catalog No: AG001MWD MDL No:
Product Description
Catalog Number:
AG001MWD
Chemical Name:
Cyclohexanepropanol, 1-methanesulfonate
CAS Number:
150849-43-7
Molecular Formula:
C10H20O3S
Molecular Weight:
220.3290
IUPAC Name:
3-cyclohexylpropan-1-ol;methanesulfonic acid
InChI:
InChI=1S/C9H18O.CH4O3S/c10-8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h9-10H,1-8H2;1H3,(H,2,3,4)
InChI Key:
QSBGMWAKJVUBEI-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCCCC1CCCCC1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.342g/mol
Monoisotopic Mass:
238.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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