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18926-44-8 | Benzeneacetic acid, 2-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
CAS No: 18926-44-8 Catalog No: AG002I56 MDL No:
Product Description
Catalog Number:
AG002I56
Chemical Name:
Benzeneacetic acid, 2-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
CAS Number:
18926-44-8
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
IUPAC Name:
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylphenyl]acetate
InChI:
InChI=1S/C14H18O4S/c1-3-17-13(15)9-11-7-5-6-8-12(11)19-10-14(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
MPRGBNKJZUHYOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1ccccc1CC(=O)OCC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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