Identifikatoren & physikalische Daten
| CAS No. | 29996-04-1 |
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| Summenformel | C4H5NO3 |
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| Durchschnittliche Molmasse | 115,09 g/mol |
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| Monoisotopische Masse | 115,02694302 g/mol |
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| SMILES | NC(=O)/C=C\C(=O)O |
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| InChIKey | FSQQTNAZHBEJLS-UPHRSURJSA-N |
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| PubChem CID | 5280451 |
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| ChEBI | CHEBI:29045 |
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| EC No. | 209-163-4 |
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| DTXSID | DTXSID301031738 |
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Chemische & physikalische Eigenschaften
| XLogP | -1 |
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| Polarare Oberfläche (TPSA) | 80,4 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 2-Butenoic acid, 4-amino-4-oxo-, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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