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100559-71-5 | 1,2-Benzenedicarboxylic acid, 1,2-bis[4-(propoxycarbonyl)phenyl] ester
CAS No: 100559-71-5 Catalog No: AG0002BJ MDL No:
Product Description
Catalog Number:
AG0002BJ
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis[4-(propoxycarbonyl)phenyl] ester
CAS Number:
100559-71-5
Molecular Formula:
C28H26O8
Molecular Weight:
490.5012
IUPAC Name:
bis(4-propoxycarbonylphenyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C28H26O8/c1-3-17-33-25(29)19-9-13-21(14-10-19)35-27(31)23-7-5-6-8-24(23)28(32)36-22-15-11-20(12-16-22)26(30)34-18-4-2/h5-16H,3-4,17-18H2,1-2H3
InChI Key:
KZDGLTYCRIHYHK-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(cc1)OC(=O)c1ccccc1C(=O)Oc1ccc(cc1)C(=O)OCCC
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.163g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.508g/mol
Monoisotopic Mass:
490.163g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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