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149035-06-3

149035-06-3 | 2(5H)-Furanone, 5-ethoxy-3-[(S)-(4-methylphenyl)sulfinyl]-, (5S)-

CAS No: 149035-06-3 Catalog No: AG001LCH MDL No:

Product Description

Catalog Number:
AG001LCH
Chemical Name:
2(5H)-Furanone, 5-ethoxy-3-[(S)-(4-methylphenyl)sulfinyl]-, (5S)-
CAS Number:
149035-06-3
Molecular Formula:
C13H14O4S
Molecular Weight:
266.3129
IUPAC Name:
(2S)-2-ethoxy-4-[(S)-(4-methylphenyl)sulfinyl]-2H-furan-5-one
InChI:
InChI=1S/C13H14O4S/c1-3-16-12-8-11(13(14)17-12)18(15)10-6-4-9(2)5-7-10/h4-8,12H,3H2,1-2H3/t12-,18-/m0/s1
InChI Key:
WCSDECOCVOMNPM-SGTLLEGYSA-N
SMILES:
CCO[C@H]1OC(=O)C(=C1)[S@@](=O)c1ccc(cc1)C

Properties

Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
266.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.311g/mol
Monoisotopic Mass:
266.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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