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Home > Other Heterocycles > 918650-75-6
918650-75-6 | 3-Azaspiro[5.5]undec-8-ene, 9-benzo[b]thien-2-yl-
CAS No: 918650-75-6 Catalog No: AG006CAN MDL No:
Product Description
Catalog Number:
AG006CAN
Chemical Name:
3-Azaspiro[5.5]undec-8-ene, 9-benzo[b]thien-2-yl-
CAS Number:
918650-75-6
Molecular Formula:
C18H21NS
Molecular Weight:
283.4310
IUPAC Name:
9-(1-benzothiophen-2-yl)-3-azaspiro[5.5]undec-9-ene
InChI:
InChI=1S/C18H21NS/c1-2-4-16-15(3-1)13-17(20-16)14-5-7-18(8-6-14)9-11-19-12-10-18/h1-5,13,19H,6-12H2
InChI Key:
WHXVKYFCCLIQIQ-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CCC(=CC2)c1cc2c(s1)cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.433g/mol
Monoisotopic Mass:
283.139g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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