| CAS Number | 1803595-72-3 |
| Catalog Number | AG01ACNA |
| Chemical Name | sodium 2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]acetate |
| IUPAC Name | sodium;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C15H11NO2S.Na/c17-15(18)8-14-16-13(9-19-14)12-7-3-5-10-4-1-2-6-11(10)12;/h1-7,9H,8H2,(H,17,18);/q;+1/p-1 |
| InChI Key | XMTUDYXGFRTRGZ-UHFFFAOYSA-M |
| MDL Number | MFCD26408045 |
| Molecular Formula | C15H10NNaO2S |
| Molecular Weight | 291.3002 |
| SMILES | [Na+].[O-]C(CC1SC=C(C2=C3C(C=CC=C3)=CC=C2)N=1)=O |
| Synonyms | sodium 2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]acetate,
1803595-72-3,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.3g/mol |
| Monoisotopic Mass | 291.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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