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Home > Other Heterocycles > 81566-29-2
81566-29-2 | 1,4-Dioxaspiro[4.5]decane, 7-methyl-7-[(phenylsulfonyl)methyl]-, (R)-
CAS No: 81566-29-2 Catalog No: AG005JTQ MDL No:
Product Description
Catalog Number:
AG005JTQ
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 7-methyl-7-[(phenylsulfonyl)methyl]-, (R)-
CAS Number:
81566-29-2
Molecular Formula:
C16H22O4S
Molecular Weight:
310.4085
IUPAC Name:
(7R)-7-(benzenesulfonylmethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C16H22O4S/c1-15(8-5-9-16(12-15)19-10-11-20-16)13-21(17,18)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t15-/m1/s1
InChI Key:
YOJVYFBLBAWQSG-OAHLLOKOSA-N
SMILES:
C[C@]1(CCCC2(C1)OCCO2)CS(=O)(=O)c1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.408g/mol
Monoisotopic Mass:
310.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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