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88505-36-6 | 1,4-Benzenedicarboxylic acid, bis[4-(phenylmethoxy)butyl] ester
CAS No: 88505-36-6 Catalog No: AG00491M MDL No:
Product Description
Catalog Number:
AG00491M
Chemical Name:
1,4-Benzenedicarboxylic acid, bis[4-(phenylmethoxy)butyl] ester
CAS Number:
88505-36-6
Molecular Formula:
C30H34O6
Molecular Weight:
490.5874
IUPAC Name:
bis(4-phenylmethoxybutyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C30H34O6/c31-29(35-21-9-7-19-33-23-25-11-3-1-4-12-25)27-15-17-28(18-16-27)30(32)36-22-10-8-20-34-24-26-13-5-2-6-14-26/h1-6,11-18H,7-10,19-24H2
InChI Key:
PPQBEYVFGUPQCQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCCCCOCc1ccccc1)OCCCCOCc1ccccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.236g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.596g/mol
Monoisotopic Mass:
490.236g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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