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139184-13-7 | 1,4-Benzenedicarboxylic acid, 1,4-bis[2-(2-oxiranylmethoxy)ethyl] ester
CAS No: 139184-13-7 Catalog No: AG001AGO MDL No:
Product Description
Catalog Number:
AG001AGO
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis[2-(2-oxiranylmethoxy)ethyl] ester
CAS Number:
139184-13-7
Molecular Formula:
C18H22O8
Molecular Weight:
366.3625
IUPAC Name:
bis[2-(oxiran-2-ylmethoxy)ethyl] benzene-1,4-dicarboxylate
InChI:
InChI=1S/C18H22O8/c19-17(23-7-5-21-9-15-11-25-15)13-1-2-14(4-3-13)18(20)24-8-6-22-10-16-12-26-16/h1-4,15-16H,5-12H2
InChI Key:
FQDQUUHXSHTVCW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCCOCC1OC1)OCCOCC1OC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.366g/mol
Monoisotopic Mass:
366.131g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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