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Home > Other Heterocycles > 503551-93-7
503551-93-7 | 2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl methanesulfonate
CAS No: 503551-93-7 Catalog No: AG019YTJ MDL No:MFCD13184489
Product Description
Catalog Number:
AG019YTJ
Chemical Name:
2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl methanesulfonate
CAS Number:
503551-93-7
Molecular Formula:
C16H23NO4S
Molecular Weight:
325.4231
MDL Number:
MFCD13184489
IUPAC Name:
(2-benzyl-6-oxa-2-azaspiro[4.5]decan-9-yl) methanesulfonate
InChI:
InChI=1S/C16H23NO4S/c1-22(18,19)21-15-7-10-20-16(11-15)8-9-17(13-16)12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChI Key:
GEBZPCVBXSAHLQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OC1CCOC2(C1)CCN(C2)Cc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.423g/mol
Monoisotopic Mass:
325.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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