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Home > Other Heterocycles > 1341744-41-9
1341744-41-9 | 9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-one
CAS No: 1341744-41-9 Catalog No: AG01A137 MDL No:MFCD16854932
Product Description
Catalog Number:
AG01A137
Chemical Name:
9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-one
CAS Number:
1341744-41-9
Molecular Formula:
C13H17NOS
Molecular Weight:
235.3452
MDL Number:
MFCD16854932
IUPAC Name:
9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-one
InChI:
InChI=1S/C13H17NOS/c15-12-7-10-3-1-4-11(8-12)14(10)9-13-5-2-6-16-13/h2,5-6,10-11H,1,3-4,7-9H2
InChI Key:
XFXRRBJJOINGEL-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCC(C1)N2Cc1cccs1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.345g/mol
Monoisotopic Mass:
235.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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