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16052-80-5 | 2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 4-phenyl-
CAS No: 16052-80-5 Catalog No: AG001S0F MDL No:
Product Description
Catalog Number:
AG001S0F
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 4-phenyl-
CAS Number:
16052-80-5
Molecular Formula:
C18H10O4
Molecular Weight:
290.2696
IUPAC Name:
4-phenylpyrano[3,2-c]chromene-2,5-dione
InChI:
InChI=1S/C18H10O4/c19-15-10-13(11-6-2-1-3-7-11)16-17(22-15)12-8-4-5-9-14(12)21-18(16)20/h1-10H
InChI Key:
ZBHYJUCDTNPZBD-UHFFFAOYSA-N
SMILES:
O=c1cc(c2ccccc2)c2c(o1)c1ccccc1oc2=O
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.274g/mol
Monoisotopic Mass:
290.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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