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100446-61-5 | Methanol, 1-(trimethoxysilyl)-, 1-(4-nitrobenzoate)
CAS No: 100446-61-5 Catalog No: AG000206 MDL No:
Product Description
Catalog Number:
AG000206
Chemical Name:
Methanol, 1-(trimethoxysilyl)-, 1-(4-nitrobenzoate)
CAS Number:
100446-61-5
Molecular Formula:
C11H17NO8Si
Molecular Weight:
319.3401
IUPAC Name:
4-nitrobenzoic acid;trimethoxysilylmethanol
InChI:
InChI=1S/C7H5NO4.C4H12O4Si/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-6-9(4-5,7-2)8-3/h1-4H,(H,9,10);5H,4H2,1-3H3
InChI Key:
YSVGEPNWOVDBEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)[N+](=O)[O-].OC[Si](OC)(OC)OC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.341g/mol
Monoisotopic Mass:
319.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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