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72408-98-1 | Quinoline, 3-oxiranyl-
CAS No: 72408-98-1 Catalog No: AG005HLJ MDL No:
Product Description
Catalog Number:
AG005HLJ
Chemical Name:
Quinoline, 3-oxiranyl-
CAS Number:
72408-98-1
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
3-(oxiran-2-yl)quinoline
InChI:
InChI=1S/C11H9NO/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-13-11/h1-6,11H,7H2
InChI Key:
BLDQKNMMKCUZPJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc(cn2)C1CO1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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