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86433-70-7 | 5-METHOXY-7,8-DIHYDROISOQUINOLINE-7,8-DIONE
CAS No: 86433-70-7 Catalog No: AG004N0M MDL No:
Product Description
Catalog Number:
AG004N0M
Chemical Name:
5-METHOXY-7,8-DIHYDROISOQUINOLINE-7,8-DIONE
CAS Number:
86433-70-7
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
5-methoxyisoquinoline-7,8-dione
InChI:
InChI=1S/C10H7NO3/c1-14-9-4-8(12)10(13)7-5-11-3-2-6(7)9/h2-5H,1H3
InChI Key:
UUVVOXXRHXLZHQ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=O)c2c1ccnc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Comparative study on biological activities of heterocyclic quinones and streptonigrin. | The Journal of antibiotics 19870501 |
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