Phosphoric acid
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CAS Number 7664-38-2
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Catalog Number io-2859
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Classification Acids
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Molecular Weight 97.9950
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SMILES OP(=O)(O)O
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Phosphoric acid is a phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. It has a role as a solvent, a human metabolite, an algal metabolite, a fertilizer and a NMR chemical shift reference compound. It is a conjugate acid of a dihydrogenphosphate and a phosphate ion.
| 1 | Phosphoric acid |
| 2 | ORTHOPHOSPHORIC ACID |
| 3 | o-Phosphoric acid |
| 4 | Wc-reiniger |
| 5 | Acidum phosphoricum |
| Molecular Formula | H3O4P |
|---|---|
| Canonical SMILES | OP(=O)(O)O |
| Isomeric SMILES | OP(=O)(O)O |
| Molecular Weight | 97.9950 |
| InChIKey | NBIIXXVUZAFLBC-UHFFFAOYSA-N |
| InChI | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) |
| XLogP | -2.1000 |
| ExactMass | 97.9769 |
| MonoisotopicMass | 97.9769 |
| TPSA | 77.8000 |
| Complexity | 49.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 232707 |
| PatentFamilyCount | 134676 |
| LiteratureCount | 59471 |
