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18528-73-9 | 1H-Cyclopenta[b]quinoline, 2,3-dihydro-, 4-oxide
CAS No: 18528-73-9 Catalog No: AG0077I2 MDL No:
Product Description
Catalog Number:
AG0077I2
Chemical Name:
1H-Cyclopenta[b]quinoline, 2,3-dihydro-, 4-oxide
CAS Number:
18528-73-9
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
4-oxido-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium
InChI:
InChI=1S/C12H11NO/c14-13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)13/h1-2,4,6,8H,3,5,7H2
InChI Key:
WXLHQLGGMMTSON-UHFFFAOYSA-N
SMILES:
[O-][n+]1c2CCCc2cc2c1cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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