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84700-35-6 | Benzoic acid, 4,4'-[1,10-decanediylbis(oxy)]bis-, diphenyl ester
CAS No: 84700-35-6 Catalog No: AG004PMK MDL No:
Product Description
Catalog Number:
AG004PMK
Chemical Name:
Benzoic acid, 4,4'-[1,10-decanediylbis(oxy)]bis-, diphenyl ester
CAS Number:
84700-35-6
Molecular Formula:
C36H38O6
Molecular Weight:
566.6833
IUPAC Name:
phenyl 4-[10-(4-phenoxycarbonylphenoxy)decoxy]benzoate
InChI:
InChI=1S/C36H38O6/c37-35(41-33-15-9-7-10-16-33)29-19-23-31(24-20-29)39-27-13-5-3-1-2-4-6-14-28-40-32-25-21-30(22-26-32)36(38)42-34-17-11-8-12-18-34/h7-12,15-26H,1-6,13-14,27-28H2
InChI Key:
CUMXMIWBFAXMNM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.267g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
566.694g/mol
Monoisotopic Mass:
566.267g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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