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1392839-33-6 | 2,6-Naphthyridine-3-carboxylic acid, 5,6-dihydro-4-hydroxy-5-oxo-6-(phenylmethyl)-, methyl ester
CAS No: 1392839-33-6 Catalog No: AG001ANX MDL No:
Product Description
Catalog Number:
AG001ANX
Chemical Name:
2,6-Naphthyridine-3-carboxylic acid, 5,6-dihydro-4-hydroxy-5-oxo-6-(phenylmethyl)-, methyl ester
CAS Number:
1392839-33-6
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
methyl 6-benzyl-4-hydroxy-5-oxo-2,6-naphthyridine-3-carboxylate
InChI:
InChI=1S/C17H14N2O4/c1-23-17(22)14-15(20)13-12(9-18-14)7-8-19(16(13)21)10-11-5-3-2-4-6-11/h2-9,20H,10H2,1H3
InChI Key:
JOOKEKCMGOZMMO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc2c(c1O)c(=O)n(cc2)Cc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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