1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester
CAS Number: 4027-57-0
Product Number: AG0034UY(AGN-PC-0JLQU9)
Synonyms:
MDL No:
Molecular Formula: C7H10N2O2
Molecular Weight: 154.1665

Identification/Properties


Properties
MP:
80-84 °C(lit.)
BP:
299.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
154.169g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
154.074g/mol
Monoisotopic Mass:
154.074g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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:
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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