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1443342-84-4 | Ethyl 2-(3-iso-propylphenyl)sulfanyl-2-oxo-acetate
CAS No: 1443342-84-4 Catalog No: AG01F935 MDL No:
Product Description
Catalog Number:
AG01F935
Chemical Name:
Ethyl 2-(3-iso-propylphenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443342-84-4
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
ethyl 2-oxo-2-(3-propan-2-ylphenyl)sulfanylacetate
InChI:
InChI=1S/C13H16O3S/c1-4-16-12(14)13(15)17-11-7-5-6-10(8-11)9(2)3/h5-9H,4H2,1-3H3
InChI Key:
LXAVHLGIYXMBGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cccc(c1)C(C)C
Properties
Complexity:
276
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:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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