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142044-38-0 | (+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide
CAS No: 142044-38-0 Catalog No: AG006W9N MDL No:
Product Description
Catalog Number:
AG006W9N
Chemical Name:
(+-)-cis-5,6-Epoxy-5,6-dihydroquinoline N-oxide
CAS Number:
142044-38-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
(1aR,7bS)-4-oxido-1a,7b-dihydrooxireno[2,3-f]quinolin-4-ium
InChI:
InChI=1S/C9H7NO2/c11-10-5-1-2-6-7(10)3-4-8-9(6)12-8/h1-5,8-9H/t8-,9+/m1/s1
InChI Key:
BMGFWYLOLFXQFE-BDAKNGLRSA-N
SMILES:
[O-][n+]1cccc2c1C=C[C@@H]1[C@H]2O1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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