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113502-82-2 | 1,2-Benzenedicarboxylic acid, 1,2-bis[4-(butoxycarbonyl)phenyl] ester
CAS No: 113502-82-2 Catalog No: AG0008SS MDL No:
Product Description
Catalog Number:
AG0008SS
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis[4-(butoxycarbonyl)phenyl] ester
CAS Number:
113502-82-2
Molecular Formula:
C30H30O8
Molecular Weight:
518.5544
IUPAC Name:
bis(4-butoxycarbonylphenyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C30H30O8/c1-3-5-19-35-27(31)21-11-15-23(16-12-21)37-29(33)25-9-7-8-10-26(25)30(34)38-24-17-13-22(14-18-24)28(32)36-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
InChI Key:
KWQYPWUISOQBMR-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(cc1)OC(=O)c1ccccc1C(=O)Oc1ccc(cc1)C(=O)OCCCC
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.194g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
518.562g/mol
Monoisotopic Mass:
518.194g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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