1-tert-butyl-1H-pyrazole-5-carbaldehyde


Chemical Name: 1-tert-butyl-1H-pyrazole-5-carbaldehyde
CAS Number: 1204355-58-7
Product Number: AG0099SJ(AGN-0099MZ)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O
Molecular Weight: 152.1937

Identification/Properties


Computed Properties
Molecular Weight:
152.197g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
152.095g/mol
Monoisotopic Mass:
152.095g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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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