Home Other Building Blocks 1-(trimethyl-1H-pyrazol-4-yl)propan-1-one

1-(trimethyl-1H-pyrazol-4-yl)propan-1-one

CAS No.:
90721-80-5
Catalog Number:
AG019QYV
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
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Product Description
Catalog Number:
AG019QYV
Chemical Name:
1-(trimethyl-1H-pyrazol-4-yl)propan-1-one
CAS Number:
90721-80-5
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD00514540
IUPAC Name:
1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
InChI:
InChI=1S/C9H14N2O/c1-5-8(12)9-6(2)10-11(4)7(9)3/h5H2,1-4H3
InChI Key:
XYCNZUWSRXFCSZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(C)nn(c1C)C
Properties
Complexity:
181  
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:
1.2  
Properties