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843621-27-2 | 2-((4-Ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)propanoic acid
CAS No: 843621-27-2 Catalog No: AG004T89 MDL No:MFCD03848272
Product Description
Catalog Number:
AG004T89
Chemical Name:
2-((4-Ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)propanoic acid
CAS Number:
843621-27-2
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
MDL Number:
MFCD03848272
IUPAC Name:
2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxypropanoic acid
InChI:
InChI=1S/C15H16O5/c1-4-10-7-13(16)20-12-6-8(2)5-11(14(10)12)19-9(3)15(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)
InChI Key:
PPSGPOYIPZNDKA-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)oc2c1c(cc(c2)C)OC(C(=O)O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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