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112276-18-3 | Quinoline, 1,2,3,4-tetrahydro-1-(4-phenoxy-2-butynyl)-
CAS No: 112276-18-3 Catalog No: AG00832S MDL No:
Product Description
Catalog Number:
AG00832S
Chemical Name:
Quinoline, 1,2,3,4-tetrahydro-1-(4-phenoxy-2-butynyl)-
CAS Number:
112276-18-3
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
1-(4-phenoxybut-2-ynyl)-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C19H19NO/c1-2-11-18(12-3-1)21-16-7-6-14-20-15-8-10-17-9-4-5-13-19(17)20/h1-5,9,11-13H,8,10,14-16H2
InChI Key:
UVDAXMOKPWLJDF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCC#CCN1CCCc2c1cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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