| CAS Number | 674773-07-0 |
| Catalog Number | AG00IMKF(AGN-PC-0TOFQN) |
| Chemical Name | 3-Thiopheneacetic acid,5-[bis(carboxymethyl)amino]-2-carboxy-4-cyano-, strontium salt (1:2),hydrate |
| IUPAC Name | distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;hydrate |
| InChI | InChI=1S/C12H10N2O8S.H2O.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1H2;;/q;;2*+2/p-4 |
| InChI Key | KXBBXBBUNMMNSU-UHFFFAOYSA-J |
| MDL Number | MFCD12031997 |
| Molecular Formula | C12H8N2O9SSr2 |
| Molecular Weight | 531.5049 |
| SMILES | O.[Sr++].[Sr++].[O-]C(=O)CN(CC([O-])=O)C1=C(C#N)C(CC([O-])=O)=C(S1)C([O-])=O |
| Synonyms | Ranelic acid strontium salt hydrate,
674773-07-0,
|
| Complexity | 565 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 531.806g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 531.501g/mol |
| Monoisotopic Mass | 531.806g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 217A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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