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Home > Other Heterocycles > 824940-79-6
824940-79-6 | 1,4-Dioxaspiro[4.4]nonane, 7-methyl-7-[(phenylsulfinyl)methyl]-, (7S)-
CAS No: 824940-79-6 Catalog No: AG00507W MDL No:
Product Description
Catalog Number:
AG00507W
Chemical Name:
1,4-Dioxaspiro[4.4]nonane, 7-methyl-7-[(phenylsulfinyl)methyl]-, (7S)-
CAS Number:
824940-79-6
Molecular Formula:
C15H20O3S
Molecular Weight:
280.3825
IUPAC Name:
(8S)-8-(benzenesulfinylmethyl)-8-methyl-1,4-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C15H20O3S/c1-14(7-8-15(11-14)17-9-10-18-15)12-19(16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/t14-,19?/m0/s1
InChI Key:
JATSEPWIWHOHKX-KTQQKIMGSA-N
SMILES:
O=S(c1ccccc1)C[C@@]1(C)CCC2(C1)OCCO2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.382g/mol
Monoisotopic Mass:
280.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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