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827303-64-0 | Quinoline, 2,4-dimethoxy-3-oxiranyl-
CAS No: 827303-64-0 Catalog No: AG008JC6 MDL No:
Product Description
Catalog Number:
AG008JC6
Chemical Name:
Quinoline, 2,4-dimethoxy-3-oxiranyl-
CAS Number:
827303-64-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
2,4-dimethoxy-3-(oxiran-2-yl)quinoline
InChI:
InChI=1S/C13H13NO3/c1-15-12-8-5-3-4-6-9(8)14-13(16-2)11(12)10-7-17-10/h3-6,10H,7H2,1-2H3
InChI Key:
GRILWAWURGBMGR-UHFFFAOYSA-N
SMILES:
COc1nc2ccccc2c(c1C1CO1)OC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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