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188894-14-6 | 1,3-Benzenedicarboxylic acid, 1,3-bis(2-oxo-2H-1-benzopyran-4-yl) ester
CAS No: 188894-14-6 Catalog No: AG002HH1 MDL No:
Product Description
Catalog Number:
AG002HH1
Chemical Name:
1,3-Benzenedicarboxylic acid, 1,3-bis(2-oxo-2H-1-benzopyran-4-yl) ester
CAS Number:
188894-14-6
Molecular Formula:
C26H14O8
Molecular Weight:
454.3846
IUPAC Name:
bis(2-oxochromen-4-yl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C26H14O8/c27-23-13-21(17-8-1-3-10-19(17)31-23)33-25(29)15-6-5-7-16(12-15)26(30)34-22-14-24(28)32-20-11-4-2-9-18(20)22/h1-14H
InChI Key:
LKJGSLARQAMCAR-UHFFFAOYSA-N
SMILES:
O=c1cc(OC(=O)c2cccc(c2)C(=O)Oc2cc(=O)oc3c2cccc3)c2c(o1)cccc2
Properties
Complexity:
846
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.069g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.39g/mol
Monoisotopic Mass:
454.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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