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76336-00-0 | Ethyl 4-hydroxy-7-methyl-2-oxo-1-propyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
CAS No: 76336-00-0 Catalog No: AG005DZA MDL No:MFCD17011923
Product Description
Catalog Number:
AG005DZA
Chemical Name:
Ethyl 4-hydroxy-7-methyl-2-oxo-1-propyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
CAS Number:
76336-00-0
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD17011923
IUPAC Name:
ethyl 4-hydroxy-7-methyl-2-oxo-1-propyl-1,8-naphthyridine-3-carboxylate
InChI:
InChI=1S/C15H18N2O4/c1-4-8-17-13-10(7-6-9(3)16-13)12(18)11(14(17)19)15(20)21-5-2/h6-7,18H,4-5,8H2,1-3H3
InChI Key:
GCAACIXXTYXEEH-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c(C(=O)OCC)c(c2c1nc(C)cc2)O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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