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4053-40-1 | 4-Methylquinoline 1-oxide
CAS No: 4053-40-1 Catalog No: AG00D5YK MDL No:MFCD01716318
Product Description
Catalog Number:
AG00D5YK
Chemical Name:
4-Methylquinoline 1-oxide
CAS Number:
4053-40-1
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD01716318
IUPAC Name:
4-methyl-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H9NO/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChI Key:
BKKKHCJYHYPKBC-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c2c1cccc2)C
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:
0.7
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