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76177-29-2 | 7-methoxy-6-methyl-isoquinoline-5,8-dione
CAS No: 76177-29-2 Catalog No: AG0057MU MDL No:
Product Description
Catalog Number:
AG0057MU
Chemical Name:
7-methoxy-6-methyl-isoquinoline-5,8-dione
CAS Number:
76177-29-2
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
7-methoxy-6-methylisoquinoline-5,8-dione
InChI:
InChI=1S/C11H9NO3/c1-6-9(13)7-3-4-12-5-8(7)10(14)11(6)15-2/h3-5H,1-2H3
InChI Key:
MAAZOOFQJFRKLA-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)c2c(C1=O)cncc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Comparative study on biological activities of heterocyclic quinones and streptonigrin. | The Journal of antibiotics 19870501 |
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