5-cyano-1-methyl-1H-pyrrole-2-acetic acid


Chemical Name: 5-cyano-1-methyl-1H-pyrrole-2-acetic acid
CAS Number: 71290-65-8
Product Number: AG00FFWS(AGN-PC-00PPR1)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O2
Molecular Weight: 164.1613

Identification/Properties


Computed Properties
Molecular Weight:
164.164g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
164.059g/mol
Monoisotopic Mass:
164.059g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
231
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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