3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile


Chemical Name: 3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile
CAS Number: 372107-06-7
Product Number: AG00C5RB(AGN-PC-0KAY2O)
Synonyms:
MDL No: MFCD01909803
Molecular Formula: C11H9N3OS
Molecular Weight: 231.2737

Identification/Properties


Computed Properties
Molecular Weight:
231.273g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
231.047g/mol
Monoisotopic Mass:
231.047g/mol
Topological Polar Surface Area:
86.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
301
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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