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100864-60-6 | Cyclohexanol, 4-(phenylmethoxy)-, 1-methanesulfonate
CAS No: 100864-60-6 Catalog No: AG00031Y MDL No:
Product Description
Catalog Number:
AG00031Y
Chemical Name:
Cyclohexanol, 4-(phenylmethoxy)-, 1-methanesulfonate
CAS Number:
100864-60-6
Molecular Formula:
C14H20O4S
Molecular Weight:
284.3712
IUPAC Name:
methanesulfonic acid;4-phenylmethoxycyclohexan-1-ol
InChI:
InChI=1S/C13H18O2.CH4O3S/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;1-5(2,3)4/h1-5,12-14H,6-10H2;1H3,(H,2,3,4)
InChI Key:
KLNCLFBWIOXUAV-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OC1CCC(CC1)OCc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.385g/mol
Monoisotopic Mass:
302.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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