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114079-45-7 | 2-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, 2-methanesulfonate
CAS No: 114079-45-7 Catalog No: AG000AIB MDL No:
Product Description
Catalog Number:
AG000AIB
Chemical Name:
2-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, 2-methanesulfonate
CAS Number:
114079-45-7
Molecular Formula:
C21H30O4SSi
Molecular Weight:
406.6110
IUPAC Name:
4-[tert-butyl(diphenyl)silyl]oxybutan-2-ol;methanesulfonic acid
InChI:
InChI=1S/C20H28O2Si.CH4O3S/c1-17(21)15-16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-5(2,3)4/h5-14,17,21H,15-16H2,1-4H3;1H3,(H,2,3,4)
InChI Key:
WVSIQNMTHDXTDV-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)C)CCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.627g/mol
Monoisotopic Mass:
424.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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