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100853-51-8 | 1,4-Benzenedicarboxylic acid, 1,4-bis[4-(phenoxycarbonyl)phenyl] ester
CAS No: 100853-51-8 Catalog No: AG00031I MDL No:
Product Description
Catalog Number:
AG00031I
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis[4-(phenoxycarbonyl)phenyl] ester
CAS Number:
100853-51-8
Molecular Formula:
C34H22O8
Molecular Weight:
558.5337
IUPAC Name:
bis(4-phenoxycarbonylphenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C34H22O8/c35-31(41-29-19-15-25(16-20-29)33(37)39-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(36)42-30-21-17-26(18-22-30)34(38)40-28-9-5-2-6-10-28/h1-22H
InChI Key:
MBTHQQYKRSMJPK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1)Oc1ccc(cc1)C(=O)Oc1ccccc1
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.131g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.542g/mol
Monoisotopic Mass:
558.131g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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