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88557-09-9 | Ethanone, 1-[4,5-dihydro-2,4-dimethyl-5-(1-piperidinyl)-3-furanyl]-
CAS No: 88557-09-9 Catalog No: AG004E3J MDL No:
Product Description
Catalog Number:
AG004E3J
Chemical Name:
Ethanone, 1-[4,5-dihydro-2,4-dimethyl-5-(1-piperidinyl)-3-furanyl]-
CAS Number:
88557-09-9
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
IUPAC Name:
1-(3,5-dimethyl-2-piperidin-1-yl-2,3-dihydrofuran-4-yl)ethanone
InChI:
InChI=1S/C13H21NO2/c1-9-12(10(2)15)11(3)16-13(9)14-7-5-4-6-8-14/h9,13H,4-8H2,1-3H3
InChI Key:
OOVYCTIQOGGCMU-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)OC(C1C)N1CCCCC1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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