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Home > Other Heterocycles > 88151-86-4
88151-86-4 | 2-Butanone, 4-(11-phenyl-8-azaspiro[5.6]dodec-8-yl)-
CAS No: 88151-86-4 Catalog No: AG004G91 MDL No:
Product Description
Catalog Number:
AG004G91
Chemical Name:
2-Butanone, 4-(11-phenyl-8-azaspiro[5.6]dodec-8-yl)-
CAS Number:
88151-86-4
Molecular Formula:
C21H31NO
Molecular Weight:
313.4769
IUPAC Name:
4-(11-phenyl-8-azaspiro[5.6]dodecan-8-yl)butan-2-one
InChI:
InChI=1S/C21H31NO/c1-18(23)10-14-22-15-11-20(19-8-4-2-5-9-19)16-21(17-22)12-6-3-7-13-21/h2,4-5,8-9,20H,3,6-7,10-17H2,1H3
InChI Key:
LTYZDYNUDRESDL-UHFFFAOYSA-N
SMILES:
CC(=O)CCN1CCC(CC2(C1)CCCCC2)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.241g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.485g/mol
Monoisotopic Mass:
313.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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