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Home > Other Heterocycles > 2060056-91-7
2060056-91-7 | 8-(4-ethylphenyl)-6-azaspiro[3.4]octan-5-one
CAS No: 2060056-91-7 Catalog No: AG01BYR0 MDL No:MFCD30487326
Product Description
Catalog Number:
AG01BYR0
Chemical Name:
8-(4-ethylphenyl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2060056-91-7
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD30487326
IUPAC Name:
8-(4-ethylphenyl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C15H19NO/c1-2-11-4-6-12(7-5-11)13-10-16-14(17)15(13)8-3-9-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)
InChI Key:
YCXPUOPALWEFOT-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C1CNC(=O)C21CCC2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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