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1042031-63-9 | 6,8-DIMETHOXYISOQUINOLIN-1(2H)-ONE
CAS No: 1042031-63-9 Catalog No: AG01DMKT MDL No:
Product Description
Catalog Number:
AG01DMKT
Chemical Name:
6,8-DIMETHOXYISOQUINOLIN-1(2H)-ONE
CAS Number:
1042031-63-9
IUPAC Name:
6,8-dimethoxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO3/c1-14-8-5-7-3-4-12-11(13)10(7)9(6-8)15-2/h3-6H,1-2H3,(H,12,13)
InChI Key:
RQNPAAMHEZHSNU-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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