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250718-94-6 | 4-Piperidinone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 250718-94-6 Catalog No: AG002QE2 MDL No:
Product Description
Catalog Number:
AG002QE2
Chemical Name:
4-Piperidinone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
250718-94-6
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-one
InChI:
InChI=1S/C13H15NO3/c15-11-3-5-14(6-4-11)10-1-2-12-13(9-10)17-8-7-16-12/h1-2,9H,3-8H2
InChI Key:
YVVARDOVOUZQCJ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1ccc2c(c1)OCCO2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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