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Home > Quinoline > 106128-44-3
106128-44-3 | 1,3(2H,4H)-Isoquinolinedione, 2-(2-methoxyphenyl)-
CAS No: 106128-44-3 Catalog No: AG007VLP MDL No:MFCD00629800
Product Description
Catalog Number:
AG007VLP
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(2-methoxyphenyl)-
CAS Number:
106128-44-3
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD00629800
IUPAC Name:
2-(2-methoxyphenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C16H13NO3/c1-20-14-9-5-4-8-13(14)17-15(18)10-11-6-2-3-7-12(11)16(17)19/h2-9H,10H2,1H3
InChI Key:
XGAWVNADRTWTGY-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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