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918650-95-0 | 3-Azaspiro[5.5]undec-8-ene, 9-benzo[b]thien-2-yl-3-methyl-
CAS No: 918650-95-0 Catalog No: AG006O7N MDL No:
Product Description
Catalog Number:
AG006O7N
Chemical Name:
3-Azaspiro[5.5]undec-8-ene, 9-benzo[b]thien-2-yl-3-methyl-
CAS Number:
918650-95-0
Molecular Formula:
C19H23NS
Molecular Weight:
297.4576
IUPAC Name:
9-(1-benzothiophen-2-yl)-3-methyl-3-azaspiro[5.5]undec-9-ene
InChI:
InChI=1S/C19H23NS/c1-20-12-10-19(11-13-20)8-6-15(7-9-19)18-14-16-4-2-3-5-17(16)21-18/h2-6,14H,7-13H2,1H3
InChI Key:
KORBKJIADYALQT-UHFFFAOYSA-N
SMILES:
CN1CCC2(CC1)CCC(=CC2)c1cc2c(s1)cccc2
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.155g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.46g/mol
Monoisotopic Mass:
297.155g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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