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1443313-90-3 | Ethyl 2-(2,4,5-trimethylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443313-90-3 Catalog No: AG01F8AT MDL No:
Product Description
Catalog Number:
AG01F8AT
Chemical Name:
Ethyl 2-(2,4,5-trimethylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443313-90-3
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
ethyl 2-oxo-2-(2,4,5-trimethylphenyl)sulfanylacetate
InChI:
InChI=1S/C13H16O3S/c1-5-16-12(14)13(15)17-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
InChI Key:
HGDVUPRPAMWBMF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cc(C)c(cc1C)C
Properties
Complexity:
290
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:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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