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86433-73-0 | 7,8-Isoquinolinedione
CAS No: 86433-73-0 Catalog No: AG004QV9 MDL No:
Product Description
Catalog Number:
AG004QV9
Chemical Name:
7,8-Isoquinolinedione
CAS Number:
86433-73-0
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
IUPAC Name:
5-methoxy-6-methyl-7,8-dioxoisoquinoline-1-carbonitrile
InChI:
InChI=1S/C12H8N2O3/c1-6-10(15)11(16)9-7(12(6)17-2)3-4-14-8(9)5-13/h3-4H,1-2H3
InChI Key:
XANWGJCUAGZBFE-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C=Cc2c1cncc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synergistic inhibition of human immunodeficiency virus type 1 and type 2 replication in vitro by castanospermine and 3'-azido-3'-deoxythymidine. | Antimicrobial agents and chemotherapy 19890101 |
| Mechanism of inhibition of reverse transcriptase by quinone antibiotics. | The Journal of antibiotics 19871201 |
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