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869897-98-3 | 6-Methoxy-3-methylisoquinolin-1(2H)-one
CAS No: 869897-98-3 Catalog No: AG004NWV MDL No:MFCD24556793
Product Description
Catalog Number:
AG004NWV
Chemical Name:
6-Methoxy-3-methylisoquinolin-1(2H)-one
CAS Number:
869897-98-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD24556793
IUPAC Name:
6-methoxy-3-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO2/c1-7-5-8-6-9(14-2)3-4-10(8)11(13)12-7/h3-6H,1-2H3,(H,12,13)
InChI Key:
ZDIZDRSTAAJHNP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]c2=O)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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