| CAS Number | 89304-26-7 |
| Catalog Number | AG0040GA(AGN-PC-0VOT7I) |
| Chemical Name | Oxalomalic Acid (sodium salt) |
| IUPAC Name | trisodium;1-hydroxy-3-oxopropane-1,2,3-tricarboxylate |
| InChI | InChI=1S/C6H6O8.3Na/c7-2(5(11)12)1(4(9)10)3(8)6(13)14;;;/h1-2,7H,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3 |
| InChI Key | WSDSCXNEGCRTMS-UHFFFAOYSA-K |
| MDL Number | MFCD00056721 |
| Molecular Formula | C6H6O8 |
| Molecular Weight | 206.1070 |
| SMILES | OC(C(O)C(C(O)=O)C(C(O)=O)=O)=O |
| Synonyms | Oxalomalic acid trisodium salt,
89304-26-7,
Oxalomalic acid sodium salt,
C6H3O8.3Na,
CTK8G2214,
1970AH,
MCULE-8851195643,
FT-0697084,
C-44204,
sodium 1-hydroxy-3-oxopropane-1,2,3-tricarboxylate,
ALPHA-HYDROXY-BETA-OXALOSUCCINIC ACID TRISODIUM SALT,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.9521g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.05g/mol |
| Monoisotopic Mass | 271.9521g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 158Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number