3-pyrazol-1-ylpropanal


Chemical Name: 3-pyrazol-1-ylpropanal
CAS Number: 89532-43-4
Product Number: AG003Z15(AGN-PC-0LFX14)
Synonyms:
MDL No:
Molecular Formula: C6H8N2O
Molecular Weight: 124.1405

Identification/Properties


Properties
BP:
103 °C(Press: 11 Torr)
Computed Properties
Molecular Weight:
124.143g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
124.064g/mol
Monoisotopic Mass:
124.064g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
95.1
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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