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Home > Other Heterocycles > 898761-50-7
898761-50-7 | 3-CYANO-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS No: 898761-50-7 Catalog No: AG006NPC MDL No:
Product Description
Catalog Number:
AG006NPC
Chemical Name:
3-CYANO-3'-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]BENZOPHENONE
CAS Number:
898761-50-7
Molecular Formula:
C22H22N2O3
Molecular Weight:
362.4217
IUPAC Name:
3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)benzoyl]benzonitrile
InChI:
InChI=1S/C22H22N2O3/c23-15-17-3-1-5-19(13-17)21(25)20-6-2-4-18(14-20)16-24-9-7-22(8-10-24)26-11-12-27-22/h1-6,13-14H,7-12,16H2
InChI Key:
RCSQYHHWPCHNRA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)c1cccc(c1)CN1CCC2(CC1)OCCO2
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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