Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-


Chemical Name: Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-
CAS Number: 35202-54-1
Product Number: AG00I6Z7(AGN-PC-0JPBGI)
Synonyms:
MDL No:
Molecular Formula: C11H11NO2
Molecular Weight: 189.2105

Identification/Properties


Properties
MP:
83-84 °C
BP:
345.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
189.214g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
189.079g/mol
Monoisotopic Mass:
189.079g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
257
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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