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847248-43-5 | Quinoline, 6-(3-buten-1-ynyl)-
CAS No: 847248-43-5 Catalog No: AG004PD5 MDL No:
Product Description
Catalog Number:
AG004PD5
Chemical Name:
Quinoline, 6-(3-buten-1-ynyl)-
CAS Number:
847248-43-5
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
IUPAC Name:
6-but-3-en-1-ynylquinoline
InChI:
InChI=1S/C13H9N/c1-2-3-5-11-7-8-13-12(10-11)6-4-9-14-13/h2,4,6-10H,1H2
InChI Key:
WGBBOOJYNSWJMZ-UHFFFAOYSA-N
SMILES:
C=CC#Cc1ccc2c(c1)cccn2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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