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113451-98-2 | 2-Furancarboxylic acid, 5,5'-[1,4-phenylenebis(oxy)]bis-, dimethyl ester (9CI)
CAS No: 113451-98-2 Catalog No: AG0008NN MDL No:
Product Description
Catalog Number:
AG0008NN
Chemical Name:
2-Furancarboxylic acid, 5,5'-[1,4-phenylenebis(oxy)]bis-, dimethyl ester (9CI)
CAS Number:
113451-98-2
Molecular Formula:
C18H14O8
Molecular Weight:
358.2990
IUPAC Name:
methyl 5-[4-(5-methoxycarbonylfuran-2-yl)oxyphenoxy]furan-2-carboxylate
InChI:
InChI=1S/C18H14O8/c1-21-17(19)13-7-9-15(25-13)23-11-3-5-12(6-4-11)24-16-10-8-14(26-16)18(20)22-2/h3-10H,1-2H3
InChI Key:
FNSCGSORFIUOGO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)Oc1ccc(cc1)Oc1ccc(o1)C(=O)OC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.302g/mol
Monoisotopic Mass:
358.069g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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