2-propan-2-ylpyrazole-3-carboxylic acid


Chemical Name: 2-propan-2-ylpyrazole-3-carboxylic acid
CAS Number: 920006-32-2
Product Number: AG003EGB(AGN-PC-0KPVLF)
Synonyms:
MDL No: MFCD03130043
Molecular Formula: C7H10N2O2
Molecular Weight: 154.1665

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
154.169g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
154.074g/mol
Monoisotopic Mass:
154.074g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
159
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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