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Home > Other Heterocycles > 88151-78-4
88151-78-4 | 8-Azaspiro[5.6]dodec-10-en-9-one, 11-phenyl-
CAS No: 88151-78-4 Catalog No: AG004G93 MDL No:
Product Description
Catalog Number:
AG004G93
Chemical Name:
8-Azaspiro[5.6]dodec-10-en-9-one, 11-phenyl-
CAS Number:
88151-78-4
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
11-phenyl-8-azaspiro[5.6]dodec-10-en-9-one
InChI:
InChI=1S/C17H21NO/c19-16-11-15(14-7-3-1-4-8-14)12-17(13-18-16)9-5-2-6-10-17/h1,3-4,7-8,11H,2,5-6,9-10,12-13H2,(H,18,19)
InChI Key:
MXGUPTIYQQEFRP-UHFFFAOYSA-N
SMILES:
O=C1NCC2(CC(=C1)c1ccccc1)CCCCC2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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