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100559-69-1 | 1,2-Benzenedicarboxylic acid, 1,2-bis[4-(methoxycarbonyl)phenyl] ester
CAS No: 100559-69-1 Catalog No: AG0002BK MDL No:
Product Description
Catalog Number:
AG0002BK
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis[4-(methoxycarbonyl)phenyl] ester
CAS Number:
100559-69-1
Molecular Formula:
C24H18O8
Molecular Weight:
434.3949
IUPAC Name:
bis(4-methoxycarbonylphenyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H18O8/c1-29-21(25)15-7-11-17(12-8-15)31-23(27)19-5-3-4-6-20(19)24(28)32-18-13-9-16(10-14-18)22(26)30-2/h3-14H,1-2H3
InChI Key:
YGECDCCVOWUJHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OC(=O)c1ccccc1C(=O)Oc1ccc(cc1)C(=O)OC
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.1g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.4g/mol
Monoisotopic Mass:
434.1g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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