Home Aldehydes 1-ethenyl-1H-pyrazole-5-carbaldehyde

1-ethenyl-1H-pyrazole-5-carbaldehyde

CAS No.:
1780295-51-3
Catalog Number:
AG01DYW2
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
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Product Description
Catalog Number:
AG01DYW2
Chemical Name:
1-ethenyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1780295-51-3
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD28538943
IUPAC Name:
2-ethenylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H6N2O/c1-2-8-6(5-9)3-4-7-8/h2-5H,1H2
InChI Key:
GGXPRXUMAWPMLT-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C=C
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties