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124779-43-7 | Quinoline, 3-(3-propyloxiranyl)-, trans- (9CI)
CAS No: 124779-43-7 Catalog No: AG000MQA MDL No:
Product Description
Catalog Number:
AG000MQA
Chemical Name:
Quinoline, 3-(3-propyloxiranyl)-, trans- (9CI)
CAS Number:
124779-43-7
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
2-(3-propyloxiran-2-yl)quinoline
InChI:
InChI=1S/C14H15NO/c1-2-5-13-14(16-13)12-9-8-10-6-3-4-7-11(10)15-12/h3-4,6-9,13-14H,2,5H2,1H3
InChI Key:
NVTNTMLDKKBOPS-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1O[C@H]1c1cnc2c(c1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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