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60169-87-1 | 3-Methyl-5,6,7,8-tetrahydro-quinoline 1-oxide
CAS No: 60169-87-1 Catalog No: AG00JRTP MDL No:
Product Description
Catalog Number:
AG00JRTP
Chemical Name:
3-Methyl-5,6,7,8-tetrahydro-quinoline 1-oxide
CAS Number:
60169-87-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
3-methyl-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium
InChI:
InChI=1S/C10H13NO/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h6-7H,2-5H2,1H3
InChI Key:
OMTAZDWADKFLQU-UHFFFAOYSA-N
SMILES:
Cc1cc2CCCCc2[n+](c1)[O-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/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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