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827624-45-3 | 1,4-Benzenediol, 2-[(trimethylsilyl)ethynyl]-, diacetate
CAS No: 827624-45-3 Catalog No: AG004THK MDL No:
Product Description
Catalog Number:
AG004THK
Chemical Name:
1,4-Benzenediol, 2-[(trimethylsilyl)ethynyl]-, diacetate
CAS Number:
827624-45-3
Molecular Formula:
C15H22O6Si
Molecular Weight:
326.4171
IUPAC Name:
acetic acid;2-(2-trimethylsilylethynyl)benzene-1,4-diol
InChI:
InChI=1S/C11H14O2Si.2C2H4O2/c1-14(2,3)7-6-9-8-10(12)4-5-11(9)13;2*1-2(3)4/h4-5,8,12-13H,1-3H3;2*1H3,(H,3,4)
InChI Key:
GGDMAZULJCDAHB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C#C[Si](C)(C)C)O.CC(=O)O.CC(=O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.42g/mol
Monoisotopic Mass:
326.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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