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14548-00-6 | 3-METHYLISOQUINOLINE 2-OXIDE
CAS No: 14548-00-6 Catalog No: AG00AKKJ MDL No:
Product Description
Catalog Number:
AG00AKKJ
Chemical Name:
3-METHYLISOQUINOLINE 2-OXIDE
CAS Number:
14548-00-6
IUPAC Name:
3-methyl-2-oxidoisoquinolin-2-ium
InChI:
InChI=1S/C10H9NO/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,1H3
InChI Key:
BTEXQKZNRLDUMG-UHFFFAOYSA-N
NSC Number:
338441
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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