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591767-62-3 | Isoquinoline, 6-methoxy-, 2-oxide (9CI)
CAS No: 591767-62-3 Catalog No: AG00EKSV MDL No:
Product Description
Catalog Number:
AG00EKSV
Chemical Name:
Isoquinoline, 6-methoxy-, 2-oxide (9CI)
CAS Number:
591767-62-3
IUPAC Name:
6-methoxy-2-oxidoisoquinolin-2-ium
InChI:
InChI=1S/C10H9NO2/c1-13-10-3-2-9-7-11(12)5-4-8(9)6-10/h2-7H,1H3
InChI Key:
PCDRCOZAFZOJRN-UHFFFAOYSA-N
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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