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19242-90-1 | Hexanedioic acid, 1,6-bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] ester
CAS No: 19242-90-1 Catalog No: AG002FYB MDL No:
Product Description
Catalog Number:
AG002FYB
Chemical Name:
Hexanedioic acid, 1,6-bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] ester
CAS Number:
19242-90-1
Molecular Formula:
C36H34O10
Molecular Weight:
626.6492
IUPAC Name:
bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] hexanedioate
InChI:
InChI=1S/C36H34O10/c37-31-23-27(15-17-29(31)35(41)25-9-3-1-4-10-25)43-19-21-45-33(39)13-7-8-14-34(40)46-22-20-44-28-16-18-30(32(38)24-28)36(42)26-11-5-2-6-12-26/h1-6,9-12,15-18,23-24,37-38H,7-8,13-14,19-22H2
InChI Key:
ZUGLLOQMWVWHDH-UHFFFAOYSA-N
SMILES:
O=C(OCCOc1ccc(c(c1)O)C(=O)c1ccccc1)CCCCC(=O)OCCOc1ccc(c(c1)O)C(=O)c1ccccc1
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.215g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
626.658g/mol
Monoisotopic Mass:
626.215g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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