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1443354-22-0 | Ethyl 2-(2,4-dimethylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443354-22-0 Catalog No: AG01F93P MDL No:
Product Description
Catalog Number:
AG01F93P
Chemical Name:
Ethyl 2-(2,4-dimethylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443354-22-0
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
ethyl 2-(2,4-dimethylphenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C12H14O3S/c1-4-15-11(13)12(14)16-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChI Key:
OZJFANRODWVQIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1ccc(cc1C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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