1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-


Chemical Name: 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
CAS Number: 22042-79-1
Product Number: AG007PZM(AGN-PC-0JLXWT)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O
Molecular Weight: 200.2365

Identification/Properties


Computed Properties
Molecular Weight:
200.241g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
200.095g/mol
Monoisotopic Mass:
200.095g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
226
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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