1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-


Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-
CAS Number: 26033-27-2
Product Number: AG002RFP(AGN-PC-0O8D24)
Synonyms:
MDL No:
Molecular Formula: C8H6N2OS
Molecular Weight: 178.2110

Identification/Properties


Computed Properties
Molecular Weight:
178.209g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
178.02g/mol
Monoisotopic Mass:
178.02g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
176
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

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NMR Spectrum


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