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27770-99-6 | 2-Octanol, 2-(4-methylbenzenesulfonate), (2R)-
CAS No: 27770-99-6 Catalog No: AG002UPA MDL No:
Product Description
Catalog Number:
AG002UPA
Chemical Name:
2-Octanol, 2-(4-methylbenzenesulfonate), (2R)-
CAS Number:
27770-99-6
IUPAC Name:
4-methylbenzenesulfonic acid;(2R)-octan-2-ol
InChI:
InChI=1S/C8H18O.C7H8O3S/c1-3-4-5-6-7-8(2)9;1-6-2-4-7(5-3-6)11(8,9)10/h8-9H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)/t8-;/m1./s1
InChI Key:
RZLKOKZEQUNTFC-DDWIOCJRSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
302.155g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.429g/mol
Monoisotopic Mass:
302.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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