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24707-01-5 | 1,4-Benzenedicarboxylic acid, 1,4-bis(4-butoxyphenyl) ester
CAS No: 24707-01-5 Catalog No: AG002P45 MDL No:
Product Description
Catalog Number:
AG002P45
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(4-butoxyphenyl) ester
CAS Number:
24707-01-5
Molecular Formula:
C28H30O6
Molecular Weight:
462.5342
IUPAC Name:
bis(4-butoxyphenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C28H30O6/c1-3-5-19-31-23-11-15-25(16-12-23)33-27(29)21-7-9-22(10-8-21)28(30)34-26-17-13-24(14-18-26)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
InChI Key:
ZXACBFCVIMZSMI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)OCCCC
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.542g/mol
Monoisotopic Mass:
462.204g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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