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Home > Other Heterocycles > 198649-62-6
198649-62-6 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-phenyl-
CAS No: 198649-62-6 Catalog No: AG002BNU MDL No:
Product Description
Catalog Number:
AG002BNU
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-phenyl-
CAS Number:
198649-62-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
8-phenyl-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C13H17NO2/c1-2-4-12(5-3-1)14-8-6-13(7-9-14)15-10-11-16-13/h1-5H,6-11H2
InChI Key:
SHWMIZAOLFMOSA-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCN(CC2)c1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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