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139457-31-1 | Quinoline, 6-(2-propyn-1-yloxy)-
CAS No: 139457-31-1 Catalog No: AG001B1P MDL No:
Product Description
Catalog Number:
AG001B1P
Chemical Name:
Quinoline, 6-(2-propyn-1-yloxy)-
CAS Number:
139457-31-1
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
IUPAC Name:
6-prop-2-ynoxyquinoline
InChI:
InChI=1S/C12H9NO/c1-2-8-14-11-5-6-12-10(9-11)4-3-7-13-12/h1,3-7,9H,8H2
InChI Key:
PQZAQONFVQVLCT-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc2c(c1)cccn2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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