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123451-00-3 | 1,4-Benzenedicarboxylic acid, 1,4-bis[2-(methoxycarbonyl)phenyl] ester
CAS No: 123451-00-3 Catalog No: AG000KL7 MDL No:
Product Description
Catalog Number:
AG000KL7
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis[2-(methoxycarbonyl)phenyl] ester
CAS Number:
123451-00-3
Molecular Formula:
C24H18O8
Molecular Weight:
434.3949
IUPAC Name:
bis(2-methoxycarbonylphenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C24H18O8/c1-29-23(27)17-7-3-5-9-19(17)31-21(25)15-11-13-16(14-12-15)22(26)32-20-10-6-4-8-18(20)24(28)30-2/h3-14H,1-2H3
InChI Key:
SFNKBDZMWLDDDO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OC(=O)c1ccc(cc1)C(=O)Oc1ccccc1C(=O)OC
Properties
Complexity:
624
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:
4.2
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