5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid


Chemical Name: 5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid
CAS Number: 117860-56-7
Product Number: AG0081EH(AGN-PC-000VKV)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O4
Molecular Weight: 184.1494

Identification/Properties


Computed Properties
Molecular Weight:
184.151g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
184.048g/mol
Monoisotopic Mass:
184.048g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
13
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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