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124902-95-0 | Quinoline, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-
CAS No: 124902-95-0 Catalog No: AG000MUX MDL No:
Product Description
Catalog Number:
AG000MUX
Chemical Name:
Quinoline, 2-[2-(1,3-benzodioxol-5-yl)ethyl]-
CAS Number:
124902-95-0
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
InChI:
InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2
InChI Key:
ZDRLPWFUZOCXJT-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)CCc1ccc2c(n1)cccc2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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