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100873-41-4 | 4-Piperidinone, 1-(3-phenoxypropyl)-
CAS No: 100873-41-4 Catalog No: AG00032E MDL No:
Product Description
Catalog Number:
AG00032E
Chemical Name:
4-Piperidinone, 1-(3-phenoxypropyl)-
CAS Number:
100873-41-4
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
1-(3-phenoxypropyl)piperidin-4-one
InChI:
InChI=1S/C14H19NO2/c16-13-7-10-15(11-8-13)9-4-12-17-14-5-2-1-3-6-14/h1-3,5-6H,4,7-12H2
InChI Key:
WLACLDJOIJWNRE-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)CCCOc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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