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26829-43-6 | 6-Methoxyisoquinolin-1(2H);-one
CAS No: 26829-43-6 Catalog No: AG007MLX MDL No:MFCD12405870
Product Description
Catalog Number:
AG007MLX
Chemical Name:
6-Methoxyisoquinolin-1(2H);-one
CAS Number:
26829-43-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD12405870
IUPAC Name:
6-methoxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H9NO2/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChI Key:
DDLJWWYULDUBGA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc[nH]c2=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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