| CAS Number | 21085-60-9 |
| Catalog Number | AG002L11(AGN-PC-0QXLVP) |
| Chemical Name | Propanedioic acid, 2-oxo-, calcium salt (1:1) |
| EC Number | 244-202-9 |
| IUPAC Name | calcium;2-oxopropanedioate |
| InChI | InChI=1S/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2 |
| InChI Key | YYJSBERANQTJJH-UHFFFAOYSA-L |
| MDL Number | MFCD00150291 |
| Molecular Formula | C3CaO5 |
| Molecular Weight | 156.1071 |
| SMILES | [Ca++].[O-]C(=O)C(=O)C([O-])=O |
| UNII | 62U0QX531Y |
| Synonyms | Calcium oxomalonate,
Calcium mesoxalate,
Calcium 2-oxomalonate,
UNII-62U0QX531Y,
21085-60-9,
62U0QX531Y,
SCHEMBL667809,
CTK1A2479,
EINECS 244-202-9,
AKOS030568410,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.106g/mol |
| Monoisotopic Mass | 155.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 97.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number