Ammonium Benzoate
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CAS Number 1863-63-4
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Catalog Number io-1705
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Classification Salts
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Molecular Weight 139.1500
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SMILES C1=CC=C(C=C1)C(=O)[O-].[NH4+]
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Ammonium Benzoate |
| 2 | Benzoic acid, ammonium salt |
| 3 | Ammonii benzoas |
| 4 | Vulnoc AB |
| 5 | Ammonium benzoicum |
| Molecular Formula | C7H9NO2 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C(=O)[O-].[NH4+] |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)[O-].[NH4+] |
| Molecular Weight | 139.1500 |
| InChIKey | VWSRWGFGAAKTQG-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3 |
| XLogP | 0.0000 |
| ExactMass | 139.0633 |
| MonoisotopicMass | 139.0633 |
| TPSA | 41.1000 |
| Complexity | 98.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 8677 |
| PatentFamilyCount | 3780 |
| LiteratureCount | 164 |
