Sodium 2-oxo(1-~13~C)propanoate
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CAS Number 87976-71-4
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Catalog Number io-406892
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Molecular Weight 111.0400
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SMILES
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| 1 | DTXSID40635577 |
| 2 | Sodium 2-oxo(1-~13~C)propanoate |
| 3 | RefChem:380657 |
| 4 | DTXCID90586328 |
| 5 | Sodium pyruvate-1-13C |
| Molecular Formula | C3H3NaO3 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 111.0400 |
| InChIKey | DAEPDZWVDSPTHF-FJUFCODESA-M |
| InChI | InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i3+1; |
| XLogP | 0.0000 |
| ExactMass | 111.0013 |
| MonoisotopicMass | 111.0013 |
| TPSA | 57.2000 |
| Complexity | 88.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 1 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 25 |
| PatentFamilyCount | 10 |
| LiteratureCount | 0 |
