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113580-06-6 | Ethanone, 2-(4-hydroxyphenyl)-1-(1-piperidinyl)-
CAS No: 113580-06-6 Catalog No: AG000922 MDL No:
Product Description
Catalog Number:
AG000922
Chemical Name:
Ethanone, 2-(4-hydroxyphenyl)-1-(1-piperidinyl)-
CAS Number:
113580-06-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-(4-hydroxyphenyl)-1-piperidin-1-ylethanone
InChI:
InChI=1S/C13H17NO2/c15-12-6-4-11(5-7-12)10-13(16)14-8-2-1-3-9-14/h4-7,15H,1-3,8-10H2
InChI Key:
WLQOJMFQJADIGF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Cc1ccc(cc1)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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