5-CYANO-DIMETHYLISOPHTHALATE


Chemical Name: 5-CYANO-DIMETHYLISOPHTHALATE
CAS Number: 23340-69-4
Product Number: AG002MXC(AGN-PC-09RUW4)
Synonyms:
MDL No:
Molecular Formula: C11H9NO4
Molecular Weight: 219.1935

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.196g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
219.053g/mol
Monoisotopic Mass:
219.053g/mol
Topological Polar Surface Area:
76.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
306
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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