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28722-25-0 | Butanoic acid, 3-oxo-, thiodi-2,1-ethanediyl ester (9CI)
CAS No: 28722-25-0 Catalog No: AG002W9S MDL No:
Product Description
Catalog Number:
AG002W9S
Chemical Name:
Butanoic acid, 3-oxo-, thiodi-2,1-ethanediyl ester (9CI)
CAS Number:
28722-25-0
IUPAC Name:
2-[2-(3-oxobutanoyloxy)ethylsulfanyl]ethyl 3-oxobutanoate
InChI:
InChI=1S/C12H18O6S/c1-9(13)7-11(15)17-3-5-19-6-4-18-12(16)8-10(2)14/h3-8H2,1-2H3
InChI Key:
DALVRHWKHAMLRN-UHFFFAOYSA-N
EC Number:
249-190-9
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.33g/mol
Monoisotopic Mass:
290.082g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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