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191168-38-4 | 2H-1-Benzopyran-2-one, 3,3'-(1,4-phenylene)bis[7-methoxy-
CAS No: 191168-38-4 Catalog No: AG002F39 MDL No:
Product Description
Catalog Number:
AG002F39
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-(1,4-phenylene)bis[7-methoxy-
CAS Number:
191168-38-4
Molecular Formula:
C26H18O6
Molecular Weight:
426.4175
IUPAC Name:
7-methoxy-3-[4-(7-methoxy-2-oxochromen-3-yl)phenyl]chromen-2-one
InChI:
InChI=1S/C26H18O6/c1-29-19-9-7-17-11-21(25(27)31-23(17)13-19)15-3-5-16(6-4-15)22-12-18-8-10-20(30-2)14-24(18)32-26(22)28/h3-14H,1-2H3
InChI Key:
QDCMUUHXRIWBRE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2)c1ccc(cc1)c1cc2ccc(cc2oc1=O)OC
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.11g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.424g/mol
Monoisotopic Mass:
426.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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