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Home > Other Building Blocks > 87411-92-5
87411-92-5 | 2H-Pyran-2-one, 4,5-bis(4-methoxyphenyl)-3,6-diphenyl-
CAS No: 87411-92-5 Catalog No: AG004N5G MDL No:
Product Description
Catalog Number:
AG004N5G
Chemical Name:
2H-Pyran-2-one, 4,5-bis(4-methoxyphenyl)-3,6-diphenyl-
CAS Number:
87411-92-5
Molecular Formula:
C31H24O4
Molecular Weight:
460.5199
IUPAC Name:
4,5-bis(4-methoxyphenyl)-3,6-diphenylpyran-2-one
InChI:
InChI=1S/C31H24O4/c1-33-25-17-13-22(14-18-25)27-28(23-15-19-26(34-2)20-16-23)30(24-11-7-4-8-12-24)35-31(32)29(27)21-9-5-3-6-10-21/h3-20H,1-2H3
InChI Key:
HZMISTXMGWGJEP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(c2ccc(cc2)OC)c(oc(=O)c1c1ccccc1)c1ccccc1
NSC Number:
734146
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.529g/mol
Monoisotopic Mass:
460.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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