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16101-63-6 | 1(2H)-Isoquinolinone, 6,7-dimethoxy-
CAS No: 16101-63-6 Catalog No: AG001VLG MDL No:MFCD00086979
Product Description
Catalog Number:
AG001VLG
Chemical Name:
1(2H)-Isoquinolinone, 6,7-dimethoxy-
CAS Number:
16101-63-6
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00086979
IUPAC Name:
6,7-dimethoxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)
InChI Key:
RSCNYUAUZAUCBZ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)cc[nH]c2=O
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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