Identifikatoren & physikalische Daten
| CAS No. | 394-31-0 |
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| Summenformel | C7H7NO3 |
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| Durchschnittliche Molmasse | 153,14 g/mol |
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| Monoisotopische Masse | 153,04259308 g/mol |
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| SMILES | Nc1ccc(O)cc1C(=O)O |
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| InChIKey | HYNQTSZBTIOFKH-UHFFFAOYSA-N |
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| PubChem CID | 164592 |
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| ChEBI | CHEBI:181437 |
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| EC No. | 628-812-6 |
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| DTXSID | DTXSID70192587 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 83,6 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Benzoic acid, 2-amino-5-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (86%) |
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