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294197-02-7 | N-Quinolin-8-yl-succinamic acid
CAS No: 294197-02-7 Catalog No: AG01FEYF MDL No:
Product Description
Catalog Number:
AG01FEYF
Chemical Name:
N-Quinolin-8-yl-succinamic acid
CAS Number:
294197-02-7
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
4-oxo-4-(quinolin-8-ylamino)butanoic acid
InChI:
InChI=1S/C13H12N2O3/c16-11(6-7-12(17)18)15-10-5-1-3-9-4-2-8-14-13(9)10/h1-5,8H,6-7H2,(H,15,16)(H,17,18)
InChI Key:
JZXREPGLYAITDP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1nccc2)CCC(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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