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16535-98-1 | 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
CAS No: 16535-98-1 Catalog No: AG001W3P MDL No:
Product Description
Catalog Number:
AG001W3P
Chemical Name:
3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
CAS Number:
16535-98-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
InChI:
InChI=1S/C12H13NO3/c1-7-9-6-11(16-3)10(15-2)4-8(9)5-12(14)13-7/h4-6H,1-3H3,(H,13,14)
InChI Key:
KJXMVLDOJZNMDG-UHFFFAOYSA-N
SMILES:
COc1cc2cc(=O)[nH]c(c2cc1OC)C
Properties
Complexity:
467
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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