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1567-86-8 | Ethanone, 1-(4,5-dihydro-5-methyl-1H-pyrazol-1-yl)-
CAS No: 1567-86-8 Catalog No: AG001OXM MDL No:
Product Description
Catalog Number:
AG001OXM
Chemical Name:
Ethanone, 1-(4,5-dihydro-5-methyl-1H-pyrazol-1-yl)-
CAS Number:
1567-86-8
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
1-(3-methyl-3,4-dihydropyrazol-2-yl)ethanone
InChI:
InChI=1S/C6H10N2O/c1-5-3-4-7-8(5)6(2)9/h4-5H,3H2,1-2H3
InChI Key:
OCWXOGXJJRUONL-UHFFFAOYSA-N
SMILES:
CC1CC=NN1C(=O)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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