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89217-50-5 | 1,4-Benzenedicarboxylic acid, 2-[4-(ethylthio)phenoxy]-, diethyl ester
CAS No: 89217-50-5 Catalog No: AG0043PW MDL No:
Product Description
Catalog Number:
AG0043PW
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-[4-(ethylthio)phenoxy]-, diethyl ester
CAS Number:
89217-50-5
Molecular Formula:
C20H22O5S
Molecular Weight:
374.4507
IUPAC Name:
diethyl 2-(4-ethylsulfanylphenoxy)benzene-1,4-dicarboxylate
InChI:
InChI=1S/C20H22O5S/c1-4-23-19(21)14-7-12-17(20(22)24-5-2)18(13-14)25-15-8-10-16(11-9-15)26-6-3/h7-13H,4-6H2,1-3H3
InChI Key:
KHWFYXWSACWPAL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1Oc1ccc(cc1)SCC)C(=O)OCC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.119g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.451g/mol
Monoisotopic Mass:
374.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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