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99897-27-5 | 3-Buten-1-ol, 3-[(trimethylsilyl)methyl]-, 4-methylbenzenesulfonate
CAS No: 99897-27-5 Catalog No: AG003VXR MDL No:
Product Description
Catalog Number:
AG003VXR
Chemical Name:
3-Buten-1-ol, 3-[(trimethylsilyl)methyl]-, 4-methylbenzenesulfonate
CAS Number:
99897-27-5
Molecular Formula:
C15H26O4SSi
Molecular Weight:
330.5150
IUPAC Name:
4-methylbenzenesulfonic acid;3-(trimethylsilylmethyl)but-3-en-1-ol
InChI:
InChI=1S/C8H18OSi.C7H8O3S/c1-8(5-6-9)7-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h9H,1,5-7H2,2-4H3;2-5H,1H3,(H,8,9,10)
InChI Key:
QWUVAQBKTVMWKF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCCC(=C)C[Si](C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.514g/mol
Monoisotopic Mass:
330.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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