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845536-16-5 | 2H-Pyrano[2,3-b]quinolin-2-one, 3-(4-methoxyphenyl)-5-phenyl-
CAS No: 845536-16-5 Catalog No: AG0052N8 MDL No:
Product Description
Catalog Number:
AG0052N8
Chemical Name:
2H-Pyrano[2,3-b]quinolin-2-one, 3-(4-methoxyphenyl)-5-phenyl-
CAS Number:
845536-16-5
Molecular Formula:
C25H17NO3
Molecular Weight:
379.4074
IUPAC Name:
3-(4-methoxyphenyl)-5-phenylpyrano[2,3-b]quinolin-2-one
InChI:
InChI=1S/C25H17NO3/c1-28-18-13-11-16(12-14-18)20-15-21-23(17-7-3-2-4-8-17)19-9-5-6-10-22(19)26-24(21)29-25(20)27/h2-15H,1H3
InChI Key:
ULVCGKBXQHABBL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2c(oc1=O)nc1c(c2c2ccccc2)cccc1
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.415g/mol
Monoisotopic Mass:
379.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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