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37687-18-6 | 1-(1-Methyl-1H-Pyrazol-4-Yl)-Ethanone
CAS No: 37687-18-6 Catalog No: AG0037XM MDL No:MFCD00159640
Product Description
Catalog Number:
AG0037XM
Chemical Name:
1-(1-Methyl-1H-Pyrazol-4-Yl)-Ethanone
CAS Number:
37687-18-6
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD00159640
IUPAC Name:
1-(1-methylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C6H8N2O/c1-5(9)6-3-7-8(2)4-6/h3-4H,1-2H3
InChI Key:
PINVCRAZGLSROU-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(=O)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:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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