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130427-04-2 | 3-Quinolinecarboxylic acid, 4-amino-1,2-dihydro-2-oxo-, methyl ester
CAS No: 130427-04-2 Catalog No: AG000UER MDL No:
Product Description
Catalog Number:
AG000UER
Chemical Name:
3-Quinolinecarboxylic acid, 4-amino-1,2-dihydro-2-oxo-, methyl ester
CAS Number:
130427-04-2
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl 4-amino-2-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-16-11(15)8-9(12)6-4-2-3-5-7(6)13-10(8)14/h2-5H,1H3,(H3,12,13,14)
InChI Key:
SFDOHYBYVRFLCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(=O)[nH]c2c(c1N)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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