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87999-14-2 | 1H-Indeno[1,2-b]pyridine-2,5-dione, 4-(4-methoxyphenyl)-3-phenyl-
CAS No: 87999-14-2 Catalog No: AG004H5L MDL No:
Product Description
Catalog Number:
AG004H5L
Chemical Name:
1H-Indeno[1,2-b]pyridine-2,5-dione, 4-(4-methoxyphenyl)-3-phenyl-
CAS Number:
87999-14-2
Molecular Formula:
C25H17NO3
Molecular Weight:
379.4074
IUPAC Name:
4-(4-methoxyphenyl)-3-phenyl-1H-indeno[1,2-b]pyridine-2,5-dione
InChI:
InChI=1S/C25H17NO3/c1-29-17-13-11-16(12-14-17)20-21(15-7-3-2-4-8-15)25(28)26-23-18-9-5-6-10-19(18)24(27)22(20)23/h2-14H,1H3,(H,26,28)
InChI Key:
OWKANRCJMMAPLH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(c2ccccc2)c(=O)[nH]c2c1C(=O)c1c2cccc1
Properties
Complexity:
750
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.415g/mol
Monoisotopic Mass:
379.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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