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Home > Other Heterocycles > 898755-85-6
898755-85-6 | 3'-CYANO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
CAS No: 898755-85-6 Catalog No: AG00GXTZ MDL No:
Product Description
Catalog Number:
AG00GXTZ
Chemical Name:
3'-CYANO-2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
CAS Number:
898755-85-6
IUPAC Name:
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile
InChI:
InChI=1S/C22H22N2O3/c23-15-17-4-3-6-18(14-17)21(25)20-7-2-1-5-19(20)16-24-10-8-22(9-11-24)26-12-13-27-22/h1-7,14H,8-13,16H2
InChI Key:
YDJHRNPSVQERMW-UHFFFAOYSA-N
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.429g/mol
Monoisotopic Mass:
362.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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