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827303-69-5 | Quinoline, 2,4,7-trimethoxy-3-oxiranyl-
CAS No: 827303-69-5 Catalog No: AG0059FJ MDL No:
Product Description
Catalog Number:
AG0059FJ
Chemical Name:
Quinoline, 2,4,7-trimethoxy-3-oxiranyl-
CAS Number:
827303-69-5
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
2,4,7-trimethoxy-3-(oxiran-2-yl)quinoline
InChI:
InChI=1S/C14H15NO4/c1-16-8-4-5-9-10(6-8)15-14(18-3)12(11-7-19-11)13(9)17-2/h4-6,11H,7H2,1-3H3
InChI Key:
FDPODOAHFHIDKJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2OC)C1CO1)OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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