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88552-43-6 | Propanoic acid, 3-[(2-butoxy-2-oxoethyl)thio]-, butyl ester
CAS No: 88552-43-6 Catalog No: AG004D6U MDL No:
Product Description
Catalog Number:
AG004D6U
Chemical Name:
Propanoic acid, 3-[(2-butoxy-2-oxoethyl)thio]-, butyl ester
CAS Number:
88552-43-6
Molecular Formula:
C13H24O4S
Molecular Weight:
276.3923
IUPAC Name:
butyl 3-(2-butoxy-2-oxoethyl)sulfanylpropanoate
InChI:
InChI=1S/C13H24O4S/c1-3-5-8-16-12(14)7-10-18-11-13(15)17-9-6-4-2/h3-11H2,1-2H3
InChI Key:
VDPVWDRLLXBQRW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CSCCC(=O)OCCCC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.14g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.391g/mol
Monoisotopic Mass:
276.14g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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