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145679-40-9 | Quinoline, 5-[(2R)-2-oxiranylmethoxy]-
CAS No: 145679-40-9 Catalog No: AG001DAK MDL No:
Product Description
Catalog Number:
AG001DAK
Chemical Name:
Quinoline, 5-[(2R)-2-oxiranylmethoxy]-
CAS Number:
145679-40-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
5-[[(2R)-oxiran-2-yl]methoxy]quinoline
InChI:
InChI=1S/C12H11NO2/c1-4-11-10(3-2-6-13-11)12(5-1)15-8-9-7-14-9/h1-6,9H,7-8H2/t9-/m1/s1
InChI Key:
MMRYHBTWIHLITG-SECBINFHSA-N
SMILES:
c1cnc2c(c1)c(OC[C@H]1CO1)ccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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