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Home > Other Heterocycles > 88204-71-1
88204-71-1 | 1-Azaspiro[5.5]undec-7-en-9-one, 7-butyl-1-(phenylmethyl)-
CAS No: 88204-71-1 Catalog No: AG004C3M MDL No:
Product Description
Catalog Number:
AG004C3M
Chemical Name:
1-Azaspiro[5.5]undec-7-en-9-one, 7-butyl-1-(phenylmethyl)-
CAS Number:
88204-71-1
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
1-benzyl-11-butyl-1-azaspiro[5.5]undec-10-en-9-one
InChI:
InChI=1S/C21H29NO/c1-2-3-11-19-16-20(23)12-14-21(19)13-7-8-15-22(21)17-18-9-5-4-6-10-18/h4-6,9-10,16H,2-3,7-8,11-15,17H2,1H3
InChI Key:
KUYVURAVICJGEM-UHFFFAOYSA-N
SMILES:
CCCCC1=CC(=O)CCC21CCCCN2Cc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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