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86208-63-1 | 2-Butenedioic acid, 2-cyano-3-[(trimethylsilyl)oxy]-, dimethyl ester, (E)-
CAS No: 86208-63-1 Catalog No: AG004NK4 MDL No:
Product Description
Catalog Number:
AG004NK4
Chemical Name:
2-Butenedioic acid, 2-cyano-3-[(trimethylsilyl)oxy]-, dimethyl ester, (E)-
CAS Number:
86208-63-1
Molecular Formula:
C10H15NO5Si
Molecular Weight:
257.3153
IUPAC Name:
dimethyl 2-cyano-3-trimethylsilyloxybut-2-enedioate
InChI:
InChI=1S/C10H15NO5Si/c1-14-9(12)7(6-11)8(10(13)15-2)16-17(3,4)5/h1-5H3
InChI Key:
MDNXSRJRENQTML-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C(\C(=O)OC)/O[Si](C)(C)C)/C#N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.317g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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