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856685-85-3 | Benzoic acid, 2,2'-[(4,5-dimethyl-1,2-phenylene)bis(methyleneoxy)]bis-
CAS No: 856685-85-3 Catalog No: AG0050II MDL No:
Product Description
Catalog Number:
AG0050II
Chemical Name:
Benzoic acid, 2,2'-[(4,5-dimethyl-1,2-phenylene)bis(methyleneoxy)]bis-
CAS Number:
856685-85-3
Molecular Formula:
C24H22O6
Molecular Weight:
406.4279
IUPAC Name:
2-[[2-[(2-carboxyphenoxy)methyl]-4,5-dimethylphenyl]methoxy]benzoic acid
InChI:
InChI=1S/C24H22O6/c1-15-11-17(13-29-21-9-5-3-7-19(21)23(25)26)18(12-16(15)2)14-30-22-10-6-4-8-20(22)24(27)28/h3-12H,13-14H2,1-2H3,(H,25,26)(H,27,28)
InChI Key:
LIKLYKQDZJLIFD-UHFFFAOYSA-N
SMILES:
Cc1cc(COc2ccccc2C(=O)O)c(cc1C)COc1ccccc1C(=O)O
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.434g/mol
Monoisotopic Mass:
406.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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