2H-1-Benzopyran-6-carbonitrile, 2,2-dimethyl-


Chemical Name: 2H-1-Benzopyran-6-carbonitrile, 2,2-dimethyl-
CAS Number: 33143-29-2
Product Number: AG0032WZ(AGN-PC-0KKZBE)
Synonyms:
MDL No:
Molecular Formula: C12H11NO
Molecular Weight: 185.2218

Identification/Properties


Properties
MP:
45-49 °C
BP:
301°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.226g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
185.084g/mol
Monoisotopic Mass:
185.084g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
297
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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