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192382-59-5 | Butanoic acid, 4-(dodecylthio)-3-oxo-, ethyl ester
CAS No: 192382-59-5 Catalog No: AG002FVT MDL No:
Product Description
Catalog Number:
AG002FVT
Chemical Name:
Butanoic acid, 4-(dodecylthio)-3-oxo-, ethyl ester
CAS Number:
192382-59-5
Molecular Formula:
C18H34O3S
Molecular Weight:
330.5258
IUPAC Name:
ethyl 4-dodecylsulfanyl-3-oxobutanoate
InChI:
InChI=1S/C18H34O3S/c1-3-5-6-7-8-9-10-11-12-13-14-22-16-17(19)15-18(20)21-4-2/h3-16H2,1-2H3
InChI Key:
FNJQZWMYGIGLSA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCC(=O)CC(=O)OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.223g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.527g/mol
Monoisotopic Mass:
330.223g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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