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69664-10-4 | 3-[Bis(2-thienyl)methylene]octahydro-2H-quinolizine
CAS No: 69664-10-4 Catalog No: AG00FL3G MDL No:
Product Description
Catalog Number:
AG00FL3G
Chemical Name:
3-[Bis(2-thienyl)methylene]octahydro-2H-quinolizine
CAS Number:
69664-10-4
IUPAC Name:
7-(dithiophen-2-ylmethylidene)-1,2,3,4,6,8,9,9a-octahydroquinolizine
InChI:
InChI=1S/C18H21NS2/c1-2-10-19-13-14(8-9-15(19)5-1)18(16-6-3-11-20-16)17-7-4-12-21-17/h3-4,6-7,11-12,15H,1-2,5,8-10,13H2
InChI Key:
XKIPXPURXMUMAA-UHFFFAOYSA-N
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.493g/mol
Monoisotopic Mass:
315.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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