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1057281-18-1 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(4-iodophenyl)-
CAS No: 1057281-18-1 Catalog No: AG01EQOP MDL No:
Product Description
Catalog Number:
AG01EQOP
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(4-iodophenyl)-
CAS Number:
1057281-18-1
Molecular Formula:
C13H16INO2
Molecular Weight:
345.1761
IUPAC Name:
8-(4-iodophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C13H16INO2/c14-11-1-3-12(4-2-11)15-7-5-13(6-8-15)16-9-10-17-13/h1-4H,5-10H2
InChI Key:
WUUFAZWQOOVVLM-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N1CCC2(CC1)OCCO2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.18g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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