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1613-33-8 | Quinoline, 2-propyl-, 1-oxide
CAS No: 1613-33-8 Catalog No: AG001SBB MDL No:
Product Description
Catalog Number:
AG001SBB
Chemical Name:
Quinoline, 2-propyl-, 1-oxide
CAS Number:
1613-33-8
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-oxido-2-propylquinolin-1-ium
InChI:
InChI=1S/C12H13NO/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-9H,2,5H2,1H3
InChI Key:
QWZVQNCTYHNZEP-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c([n+]1[O-])cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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