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727661-21-4 | 8-ethoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS No: 727661-21-4 Catalog No: AG018WP2 MDL No:
Product Description
Catalog Number:
AG018WP2
Chemical Name:
8-ethoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS Number:
727661-21-4
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
InChI:
InChI=1S/C16H19NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-7,9H,5,8H2,1-4H3
InChI Key:
XQMWWHIDJLXIEQ-UHFFFAOYSA-N
SMILES:
CCOc1cc2C(C)CC(N3c2c(c1)C(=O)C3=O)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^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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