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85118-44-1 | 6-(methylamino)-4-oxo-10-propyl-4h-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid
CAS No: 85118-44-1 Catalog No: AG004R9K MDL No:
Product Description
Catalog Number:
AG004R9K
Chemical Name:
6-(methylamino)-4-oxo-10-propyl-4h-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid
CAS Number:
85118-44-1
Molecular Formula:
C18H16N2O6
Molecular Weight:
356.3294
IUPAC Name:
6-(methylamino)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
InChI:
InChI=1S/C18H16N2O6/c1-3-4-8-15-9(11(19-2)6-12(20-15)17(22)23)5-10-13(21)7-14(18(24)25)26-16(8)10/h5-7H,3-4H2,1-2H3,(H,19,20)(H,22,23)(H,24,25)
InChI Key:
RMPRGCBYQSAAAZ-UHFFFAOYSA-N
SMILES:
CCCc1c2nc(cc(c2cc2c1oc(cc2=O)C(=O)O)NC)C(=O)O
UNII:
F37A9VKY5Q
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.334g/mol
Monoisotopic Mass:
356.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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