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951886-16-1 | Ethyl 8-[4-(N,N-Diethylamino)phenyl]-8-oxooctanoate
CAS No: 951886-16-1 Catalog No: AG01F8WR MDL No:
Product Description
Catalog Number:
AG01F8WR
Chemical Name:
Ethyl 8-[4-(N,N-Diethylamino)phenyl]-8-oxooctanoate
CAS Number:
951886-16-1
Molecular Formula:
C20H31NO3
Molecular Weight:
333.4650
IUPAC Name:
ethyl 8-[4-(diethylamino)phenyl]-8-oxooctanoate
InChI:
InChI=1S/C20H31NO3/c1-4-21(5-2)18-15-13-17(14-16-18)19(22)11-9-7-8-10-12-20(23)24-6-3/h13-16H,4-12H2,1-3H3
InChI Key:
DZPAXVHDRDSEMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1)N(CC)CC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.472g/mol
Monoisotopic Mass:
333.23g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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