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89108-53-2 | 1,8-Naphthyridin-2(1H)-one, 4-hydroxy-3-(2-hydroxyethyl)-1-phenyl-
CAS No: 89108-53-2 Catalog No: AG003YG6 MDL No:
Product Description
Catalog Number:
AG003YG6
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 4-hydroxy-3-(2-hydroxyethyl)-1-phenyl-
CAS Number:
89108-53-2
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
4-hydroxy-3-(2-hydroxyethyl)-1-phenyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C16H14N2O3/c19-10-8-13-14(20)12-7-4-9-17-15(12)18(16(13)21)11-5-2-1-3-6-11/h1-7,9,19-20H,8,10H2
InChI Key:
AEXJAEADPYRPSX-UHFFFAOYSA-N
SMILES:
OCCc1c(O)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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