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Home > Other Heterocycles > 82955-19-9
82955-19-9 | (2E)-2-[(thiophen-2-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS No: 82955-19-9 Catalog No: AG00IW1V MDL No:MFCD06797029
Product Description
Catalog Number:
AG00IW1V
Chemical Name:
(2E)-2-[(thiophen-2-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CAS Number:
82955-19-9
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
MDL Number:
MFCD06797029
IUPAC Name:
(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
InChI:
InChI=1S/C12H13NOS/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7-9H,3-6H2/b11-8+
InChI Key:
NZBSBCCCGCUASD-DHZHZOJOSA-N
SMILES:
O=C1C2CCN(/C/1=C/c1cccs1)CC2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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