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83352-55-0 | 1,3-Butadien-1-ol, 3-[(trimethylsilyl)oxy]-, acetate
CAS No: 83352-55-0 Catalog No: AG00555W MDL No:
Product Description
Catalog Number:
AG00555W
Chemical Name:
1,3-Butadien-1-ol, 3-[(trimethylsilyl)oxy]-, acetate
CAS Number:
83352-55-0
Molecular Formula:
C9H18O4Si
Molecular Weight:
218.3223
IUPAC Name:
acetic acid;3-trimethylsilyloxybuta-1,3-dien-1-ol
InChI:
InChI=1S/C7H14O2Si.C2H4O2/c1-7(5-6-8)9-10(2,3)4;1-2(3)4/h5-6,8H,1H2,2-4H3;1H3,(H,3,4)
InChI Key:
JDOHWUFYZQIHMT-UHFFFAOYSA-N
SMILES:
CC(=O)O.OC=CC(=C)O[Si](C)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.324g/mol
Monoisotopic Mass:
218.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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