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139457-36-6 | Quinoline, 6-[(1,1-dimethyl-2-propyn-1-yl)oxy]-
CAS No: 139457-36-6 Catalog No: AG001B1O MDL No:
Product Description
Catalog Number:
AG001B1O
Chemical Name:
Quinoline, 6-[(1,1-dimethyl-2-propyn-1-yl)oxy]-
CAS Number:
139457-36-6
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
6-(2-methylbut-3-yn-2-yloxy)quinoline
InChI:
InChI=1S/C14H13NO/c1-4-14(2,3)16-12-7-8-13-11(10-12)6-5-9-15-13/h1,5-10H,2-3H3
InChI Key:
JWMBZSGIUQDKFO-UHFFFAOYSA-N
SMILES:
C#CC(Oc1ccc2c(c1)cccn2)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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