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410086-23-6 | Isoquinoline, 5-methyl-, 2-oxide (9CI)
CAS No: 410086-23-6 Catalog No: AG00CZ38 MDL No:
Product Description
Catalog Number:
AG00CZ38
Chemical Name:
Isoquinoline, 5-methyl-, 2-oxide (9CI)
CAS Number:
410086-23-6
IUPAC Name:
5-methyl-2-oxidoisoquinolin-2-ium
InChI:
InChI=1S/C10H9NO/c1-8-3-2-4-9-7-11(12)6-5-10(8)9/h2-7H,1H3
InChI Key:
AYWKXVQJDFPCTP-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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