1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-


Chemical Name: 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-propyl-
CAS Number: 139755-99-0
Product Number: AG001BO2(AGN-PC-0D419Z)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O2
Molecular Weight: 168.1931

Identification/Properties


Computed Properties
Molecular Weight:
168.196g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
168.09g/mol
Monoisotopic Mass:
168.09g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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