Mixture of Water + 1-ETHYL-3-CARBOXY-6-FLUORO-7-(PIPERAZINYL-1)-QUINOLIN-4(1H)-ONE

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5

1-ETHYL-3-CARBOXY-6-FLUORO-7-(PIPERAZINYL-1)-QUINOLIN-4(1H)-ONE

Name
1-ETHYL-3-CARBOXY-6-FLUORO-7-(PIPERAZINYL-1)-QUINOLIN-4(1H)-ONE
InChI
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
InChI Key
OGJPXUAPXNRGGI-UHFFFAOYSA-N
Formula
C16H18FN3O3
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
Mol. Weight (g/mol)
319.34
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Datasets

  1. Mole fraction

Mole fraction of 1-ETHYL-3-CARBOXY-6-FLUORO-7-(PIPERAZINYL-1)-QUINOLIN-4(1H)-ONE (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 1-ETHYL-3-CARBOXY-6-FLUORO-7-(PIPERAZINYL-1)-QUINOLIN-4(1H)-ONE (2) - Liquid
293.15 0.0000
298.15 0.0000
303.15 0.0000
308.15 0.0000
313.15 0.0000
318.15 0.0000
323.15 0.0000

Sources