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24707-00-4 | 1,4-Benzenedicarboxylic acid, 1,4-bis(4-methoxyphenyl) ester
CAS No: 24707-00-4 Catalog No: AG002P46 MDL No:
Product Description
Catalog Number:
AG002P46
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(4-methoxyphenyl) ester
CAS Number:
24707-00-4
Molecular Formula:
C22H18O6
Molecular Weight:
378.3747
IUPAC Name:
bis(4-methoxyphenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C22H18O6/c1-25-17-7-11-19(12-8-17)27-21(23)15-3-5-16(6-4-15)22(24)28-20-13-9-18(26-2)10-14-20/h3-14H,1-2H3
InChI Key:
YYKJBZAQBXVGHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.38g/mol
Monoisotopic Mass:
378.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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