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651025-12-6 | Quinoline, 2-[2-(1-decynyl)-1-dodecen-3-ynyl]-
CAS No: 651025-12-6 Catalog No: AG006SWG MDL No:
Product Description
Catalog Number:
AG006SWG
Chemical Name:
Quinoline, 2-[2-(1-decynyl)-1-dodecen-3-ynyl]-
CAS Number:
651025-12-6
Molecular Formula:
C31H41N
Molecular Weight:
427.6639
IUPAC Name:
2-(2-dec-1-ynyldodec-1-en-3-ynyl)quinoline
InChI:
InChI=1S/C31H41N/c1-3-5-7-9-11-13-15-17-21-28(22-18-16-14-12-10-8-6-4-2)27-30-26-25-29-23-19-20-24-31(29)32-30/h19-20,23-27H,3-16H2,1-2H3
InChI Key:
UFIJBQGIZMBNKP-UHFFFAOYSA-N
SMILES:
CCCCCCCCC#CC(=Cc1ccc2c(n1)cccc2)C#CCCCCCCCC
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.324g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.676g/mol
Monoisotopic Mass:
427.324g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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