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26347-56-8 | 1,4-Benzenedicarboxylic acid, 1,4-bis(2-furanylmethyl) ester
CAS No: 26347-56-8 Catalog No: AG002SUH MDL No:
Product Description
Catalog Number:
AG002SUH
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(2-furanylmethyl) ester
CAS Number:
26347-56-8
Molecular Formula:
C18H14O6
Molecular Weight:
326.3002
IUPAC Name:
bis(furan-2-ylmethyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C18H14O6/c19-17(23-11-15-3-1-9-21-15)13-5-7-14(8-6-13)18(20)24-12-16-4-2-10-22-16/h1-10H,11-12H2
InChI Key:
CTVDHUAIUAABFD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCc1ccco1)OCc1ccco1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.304g/mol
Monoisotopic Mass:
326.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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