3-Tert-Butyl-1H-Pyrazol-4-carbaldehyde


Chemical Name: 3-Tert-Butyl-1H-Pyrazol-4-carbaldehyde
CAS Number: 1001020-17-2
Product Number: AG0000YN(AGN-PC-0NUWTD)
Synonyms:
MDL No:
Molecular Formula: C8H12N2O
Molecular Weight: 152.1937

Identification/Properties


Computed Properties
Molecular Weight:
152.197g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
152.095g/mol
Monoisotopic Mass:
152.095g/mol
Topological Polar Surface Area:
45.8A^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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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