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136832-85-4 | Carbonic acid, 3-[1-methyl-4-(1-oxopropyl)-4-piperidinyl]phenyl 2-methylpropyl ester (9CI)
CAS No: 136832-85-4 Catalog No: AG0012FG MDL No:
Product Description
Catalog Number:
AG0012FG
Chemical Name:
Carbonic acid, 3-[1-methyl-4-(1-oxopropyl)-4-piperidinyl]phenyl 2-methylpropyl ester (9CI)
CAS Number:
136832-85-4
Molecular Formula:
C20H29NO4
Molecular Weight:
347.4486
IUPAC Name:
[2-methyl-1-[3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl]propyl] carbonate
InChI:
InChI=1S/C20H29NO4/c1-5-17(22)20(9-11-21(4)12-10-20)16-8-6-7-15(13-16)18(14(2)3)25-19(23)24/h6-8,13-14,18H,5,9-12H2,1-4H3,(H,23,24)/p-1
InChI Key:
YILCQWRBSSHARX-UHFFFAOYSA-M
SMILES:
CCC(=O)C1(CCN(CC1)C)c1cccc(c1)OC(=O)OCC(C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.202g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.447g/mol
Monoisotopic Mass:
346.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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