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840479-48-3 | 2-((6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid
CAS No: 840479-48-3 Catalog No: AG0050KW MDL No:MFCD03848270
Product Description
Catalog Number:
AG0050KW
Chemical Name:
2-((6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid
CAS Number:
840479-48-3
Molecular Formula:
C14H13ClO5
Molecular Weight:
296.7030
MDL Number:
MFCD03848270
IUPAC Name:
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxypropanoic acid
InChI:
InChI=1S/C14H13ClO5/c1-3-8-4-13(16)20-11-6-12(10(15)5-9(8)11)19-7(2)14(17)18/h4-7H,3H2,1-2H3,(H,17,18)
InChI Key:
WSENSGWXVHWIOS-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)O)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.703g/mol
Monoisotopic Mass:
296.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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