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75938-47-5 | 2(5H)-Furanone, 5-methyl-3-[1-[(methylsulfonyl)oxy]tetradecyl]-
CAS No: 75938-47-5 Catalog No: AG005H2N MDL No:
Product Description
Catalog Number:
AG005H2N
Chemical Name:
2(5H)-Furanone, 5-methyl-3-[1-[(methylsulfonyl)oxy]tetradecyl]-
CAS Number:
75938-47-5
Molecular Formula:
C20H36O5S
Molecular Weight:
388.5618
IUPAC Name:
1-(2-methyl-5-oxo-2H-furan-4-yl)tetradecyl methanesulfonate
InChI:
InChI=1S/C20H36O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(25-26(3,22)23)18-16-17(2)24-20(18)21/h16-17,19H,4-15H2,1-3H3
InChI Key:
VVYRUOVPCVTKEM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(C1=CC(OC1=O)C)OS(=O)(=O)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.228g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.563g/mol
Monoisotopic Mass:
388.228g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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