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20323-75-5 | 1(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-
CAS No: 20323-75-5 Catalog No: AG0028RM MDL No:
Product Description
Catalog Number:
AG0028RM
Chemical Name:
1(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-
CAS Number:
20323-75-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
6,7-dimethoxy-2-methylisoquinolin-1-one
InChI:
InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3
InChI Key:
HCHLTWGUUUDWFP-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)ccn(c2=O)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| N-Methyl-6, 7-dimethoxyisoquinolone in Annona squamosa twigs is the major immune modifier to elicit polarized Th1 immune response in BALB/c mice. | Fitoterapia 20120101 |
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