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114906-08-0 | Ethanone, 1-(5-methyl-1H-pyrazol-1-yl)-
CAS No: 114906-08-0 Catalog No: AG000FF3 MDL No:
Product Description
Catalog Number:
AG000FF3
Chemical Name:
Ethanone, 1-(5-methyl-1H-pyrazol-1-yl)-
CAS Number:
114906-08-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
1-(5-methylpyrazol-1-yl)ethanone
InChI:
InChI=1S/C6H8N2O/c1-5-3-4-7-8(5)6(2)9/h3-4H,1-2H3
InChI Key:
HKBYBOOLSHHDFY-UHFFFAOYSA-N
SMILES:
CC(=O)n1nccc1C
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:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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