1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-


Chemical Name: 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-
CAS Number: 26187-29-1
Product Number: AG002S4G(AGN-PC-0NCA46)
Synonyms:
MDL No:
Molecular Formula: C7H8N2
Molecular Weight: 120.1518

Identification/Properties


Computed Properties
Molecular Weight:
120.155g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
120.069g/mol
Monoisotopic Mass:
120.069g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
144
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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