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113816-27-6 | 2(3H)-Furanone, 3-(2-oxo-5-phenyl-3(2H)-furanylidene)-5-phenyl-
CAS No: 113816-27-6 Catalog No: AG0009SA MDL No:
Product Description
Catalog Number:
AG0009SA
Chemical Name:
2(3H)-Furanone, 3-(2-oxo-5-phenyl-3(2H)-furanylidene)-5-phenyl-
CAS Number:
113816-27-6
Molecular Formula:
C20H12O4
Molecular Weight:
316.3069
IUPAC Name:
3-(2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
InChI:
InChI=1S/C20H12O4/c21-19-15(11-17(23-19)13-7-3-1-4-8-13)16-12-18(24-20(16)22)14-9-5-2-6-10-14/h1-12H
InChI Key:
MIANLYJPNCEFOV-UHFFFAOYSA-N
SMILES:
O=C1OC(=CC1=C1C=C(OC1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.312g/mol
Monoisotopic Mass:
316.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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