1H-Pyrazole-4-carboxaldehyde, 3-phenyl-


Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 3-phenyl-
CAS Number: 26033-20-5
Product Number: AG002RFS(AGN-PC-0O8D1W)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O
Molecular Weight: 172.1833

Identification/Properties


Properties
MP:
145°C
BP:
421.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.7040 (estimate)
Computed Properties
Molecular Weight:
172.187g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
172.064g/mol
Monoisotopic Mass:
172.064g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
178
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


NMR Spectrum


Other Analytical Data


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