Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-, (aR)-


Chemical Name: Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-, (aR)-
CAS Number: 99-18-3
Product Number: AG005T0C(AGN-PC-0W91T7)
Synonyms:
MDL No:
Molecular Formula: C14H17NO6
Molecular Weight: 295.2879

Identification/Properties


Properties
MP:
129-131C
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
295.291g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
295.106g/mol
Monoisotopic Mass:
295.106g/mol
Topological Polar Surface Area:
123A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
377
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H360
Precautionary Statements:
P201-P301+P310-P308+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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