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87461-94-7 | 1,3-Butadien-1-ol, 4-methoxy-2-[(trimethylsilyl)oxy]-, benzoate
CAS No: 87461-94-7 Catalog No: AG004HGY MDL No:
Product Description
Catalog Number:
AG004HGY
Chemical Name:
1,3-Butadien-1-ol, 4-methoxy-2-[(trimethylsilyl)oxy]-, benzoate
CAS Number:
87461-94-7
Molecular Formula:
C15H22O5Si
Molecular Weight:
310.4177
IUPAC Name:
benzoic acid;4-methoxy-2-trimethylsilyloxybuta-1,3-dien-1-ol
InChI:
InChI=1S/C8H16O3Si.C7H6O2/c1-10-6-5-8(7-9)11-12(2,3)4;8-7(9)6-4-2-1-3-5-6/h5-7,9H,1-4H3;1-5H,(H,8,9)
InChI Key:
WLTFCWFONOBSBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.COC=CC(=CO)O[Si](C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.421g/mol
Monoisotopic Mass:
310.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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