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24011-04-9 | 5,8-Isoquinolinedione,7-methoxy-
CAS No: 24011-04-9 Catalog No: AG006XNB MDL No:
Product Description
Catalog Number:
AG006XNB
Chemical Name:
5,8-Isoquinolinedione,7-methoxy-
CAS Number:
24011-04-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
7-methoxyisoquinoline-5,8-dione
InChI:
InChI=1S/C10H7NO3/c1-14-9-4-8(12)6-2-3-11-5-7(6)10(9)13/h2-5H,1H3
InChI Key:
ZUPHWFXJNIKMIQ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)cncc2
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:
0.6
Literature
| Title | Journal |
|---|---|
| Comparative study on biological activities of heterocyclic quinones and streptonigrin. | The Journal of antibiotics 19870501 |
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