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116505-56-7 | Decanoic acid, 4-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]phenyl ester
CAS No: 116505-56-7 Catalog No: AG000CN9 MDL No:
Product Description
Catalog Number:
AG000CN9
Chemical Name:
Decanoic acid, 4-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]phenyl ester
CAS Number:
116505-56-7
Molecular Formula:
C29H43NO3
Molecular Weight:
453.6566
IUPAC Name:
[4-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]phenyl] decanoate
InChI:
InChI=1S/C29H43NO3/c1-4-7-8-9-10-11-12-13-29(31)33-28-20-16-26(17-21-28)24-25-14-18-27(19-15-25)32-23-22-30(5-2)6-3/h14-21H,4-13,22-24H2,1-3H3
InChI Key:
DRJRXIJNNFVUBE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Oc1ccc(cc1)Cc1ccc(cc1)OCCN(CC)CC
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.324g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.667g/mol
Monoisotopic Mass:
453.324g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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