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1253791-04-6 | 1,8-Naphthyridine-3-carboxylic acid, 1,2-dihydro-4-hydroxy-7-methyl-2-oxo-1-(2-propyn-1-yl)-, ethyl ester
CAS No: 1253791-04-6 Catalog No: AG000NKQ MDL No:MFCD17011926
Product Description
Catalog Number:
AG000NKQ
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1,2-dihydro-4-hydroxy-7-methyl-2-oxo-1-(2-propyn-1-yl)-, ethyl ester
CAS Number:
1253791-04-6
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
MDL Number:
MFCD17011926
IUPAC Name:
ethyl 4-hydroxy-7-methyl-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C15H14N2O4/c1-4-8-17-13-10(7-6-9(3)16-13)12(18)11(14(17)19)15(20)21-5-2/h1,6-7,18H,5,8H2,2-3H3
InChI Key:
GKIRTYSXPDPKQW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)CC#C)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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