Pyrazinecarboxylic acid, 5-(1,1-dimethylethyl)-


Chemical Name: Pyrazinecarboxylic acid, 5-(1,1-dimethylethyl)-
CAS Number: 242813-48-5
Product Number: AG00BIQE(AGN-PC-0CGDJT)
Synonyms:
MDL No:
Molecular Formula: C9H12N2O2
Molecular Weight: 180.2038

Identification/Properties


Computed Properties
Molecular Weight:
180.207g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
180.09g/mol
Monoisotopic Mass:
180.09g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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


NMR Spectrum


Other Analytical Data


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