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1443353-75-0 | Ethyl 2-(4-n-propylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443353-75-0 Catalog No: AG01F9M0 MDL No:
Product Description
Catalog Number:
AG01F9M0
Chemical Name:
Ethyl 2-(4-n-propylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443353-75-0
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
ethyl 2-oxo-2-(4-propylphenyl)sulfanylacetate
InChI:
InChI=1S/C13H16O3S/c1-3-5-10-6-8-11(9-7-10)17-13(15)12(14)16-4-2/h6-9H,3-5H2,1-2H3
InChI Key:
MLHMSLSSSUISSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1ccc(cc1)CCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.328g/mol
Monoisotopic Mass:
252.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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