1H-Pyrrole-2-carbonitrile, 5-methyl-


Chemical Name: 1H-Pyrrole-2-carbonitrile, 5-methyl-
CAS Number: 26173-92-2
Product Number: AG002S0Q(AGN-PC-0JT2JR)
Synonyms:
MDL No:
Molecular Formula: C6H6N2
Molecular Weight: 106.1252

Identification/Properties


Computed Properties
Molecular Weight:
106.128g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
106.053g/mol
Monoisotopic Mass:
106.053g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
122
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:
Danger
UN#:
3439
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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