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599151-35-6 | 8-(2-Ethoxyphenyl)-7,8-dihydro-1,3-Dioxolo[4,5-g]quinolin-6(5H)-one
CAS No: 599151-35-6 Catalog No: AG00ELYX MDL No:MFCD03632583
Product Description
Catalog Number:
AG00ELYX
Chemical Name:
8-(2-Ethoxyphenyl)-7,8-dihydro-1,3-Dioxolo[4,5-g]quinolin-6(5H)-one
CAS Number:
599151-35-6
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
MDL Number:
MFCD03632583
IUPAC Name:
8-(2-ethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
InChI:
InChI=1S/C18H17NO4/c1-2-21-15-6-4-3-5-11(15)12-8-18(20)19-14-9-17-16(7-13(12)14)22-10-23-17/h3-7,9,12H,2,8,10H2,1H3,(H,19,20)
InChI Key:
YKSYGLXHLSPWLB-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1C1CC(=O)Nc2c1cc1OCOc1c2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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