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86996-26-1 | 1-Isobutyrylpiperidin-4-one
CAS No: 86996-26-1 Catalog No: AG004KB9 MDL No:MFCD09701667
Product Description
Catalog Number:
AG004KB9
Chemical Name:
1-Isobutyrylpiperidin-4-one
CAS Number:
86996-26-1
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD09701667
IUPAC Name:
1-(2-methylpropanoyl)piperidin-4-one
InChI:
InChI=1S/C9H15NO2/c1-7(2)9(12)10-5-3-8(11)4-6-10/h7H,3-6H2,1-2H3
InChI Key:
UMFKXYVZVAPTMI-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1CCC(=O)CC1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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