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89108-55-4 | 1,8-Naphthyridin-2(1H)-one, 4-hydroxy-3-(4-hydroxybutyl)-1-phenyl-
CAS No: 89108-55-4 Catalog No: AG003ZLS MDL No:
Product Description
Catalog Number:
AG003ZLS
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 4-hydroxy-3-(4-hydroxybutyl)-1-phenyl-
CAS Number:
89108-55-4
Molecular Formula:
C18H18N2O3
Molecular Weight:
310.3471
IUPAC Name:
4-hydroxy-3-(4-hydroxybutyl)-1-phenyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C18H18N2O3/c21-12-5-4-9-15-16(22)14-10-6-11-19-17(14)20(18(15)23)13-7-2-1-3-8-13/h1-3,6-8,10-11,21-22H,4-5,9,12H2
InChI Key:
ZCYHMYDYCBVLGS-UHFFFAOYSA-N
SMILES:
OCCCCc1c(O)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.353g/mol
Monoisotopic Mass:
310.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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