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97581-22-1

97581-22-1 | 5,8-Quinolinedione, 6-methoxy-7-methyl-

CAS No: 97581-22-1 Catalog No: AG006BQ4 MDL No:

Product Description

Catalog Number:
AG006BQ4
Chemical Name:
5,8-Quinolinedione, 6-methoxy-7-methyl-
CAS Number:
97581-22-1
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
6-methoxy-7-methylquinoline-5,8-dione
InChI:
InChI=1S/C11H9NO3/c1-6-9(13)8-7(4-3-5-12-8)10(14)11(6)15-2/h3-5H,1-2H3
InChI Key:
SGSOJZMDELRMRK-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)c2c(C1=O)cccn2
NSC Number:
628449

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:
1.3  

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