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27528-06-9 | 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-6-hydroxy-7-methyl-4-oxo-
CAS No: 27528-06-9 Catalog No: AG002U02 MDL No:
Product Description
Catalog Number:
AG002U02
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-6-hydroxy-7-methyl-4-oxo-
CAS Number:
27528-06-9
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
1-ethyl-6-hydroxy-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O4/c1-3-14-5-8(12(17)18)10(16)7-4-9(15)6(2)13-11(7)14/h4-5,15H,3H2,1-2H3,(H,17,18)
InChI Key:
RIDZWPQWZTZEKW-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1nc(C)c(c2)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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