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81820-75-9 | 2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CAS No: 81820-75-9 Catalog No: AG005HUA MDL No:
Product Description
Catalog Number:
AG005HUA
Chemical Name:
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CAS Number:
81820-75-9
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
5,5-dimethyl-3-(4-methylpiperazin-1-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C13H22N2O/c1-13(2)9-11(8-12(16)10-13)15-6-4-14(3)5-7-15/h8H,4-7,9-10H2,1-3H3
InChI Key:
OUUOHGYXUMMUBZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1=CC(=O)CC(C1)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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