26530-26-7
Product Name:
Benzoic acid, 4-(3-oxo-2(3H)-isothiazolyl)-, ethyl ester
Formula:
C12H11NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 249.29 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.04596439 g/mol |
| Monoisotopic Mass | 249.04596439 g/mol |
| Topological Polar Surface Area | 71.9 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 335 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate is an organic molecular entity.