1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester
CAS Number: 179692-09-2
Product Number: AG00277P(AGN-PC-0O533D)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O3
Molecular Weight: 168.1500

Identification/Properties


Properties
BP:
382.9°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.152g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
168.053g/mol
Monoisotopic Mass:
168.053g/mol
Topological Polar Surface Area:
72A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
184
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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