Home Aldehydes 3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde

3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1152509-69-7
Catalog Number:
AG01A41V
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
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Product Description
Catalog Number:
AG01A41V
Chemical Name:
3-tert-butyl-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1152509-69-7
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD11180144
IUPAC Name:
3-tert-butyl-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-9(2,3)8-7(6-12)5-11(4)10-8/h5-6H,1-4H3
InChI Key:
IHTGHZQFXRJZBV-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(C)(C)C)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties