Grundinformationen
- Standard-SMILES
CC=CCC(=O)O- InChIKey
UIUWNILCHFBLEQ-UHFFFAOYSA-N- Summenformel
- C5H8O2
- Durchschnittliche Molmasse
- 100,12 g/mol
- Monoisotopische Masse
- 100,05242949
Namen und Bezeichner
- Bevorzugter Name
- 3-Pentenoic acid
- IUPAC
- pent-3-enoic acid
Namen und Synonyme
DTXSID001316753RefChem:1068460DTXCID201333195628-465-03-Pentenoic acid5204-64-8pent-3-enoic acidSCHEMBL34657SCHEMBL308543SCHEMBL3106657SCHEMBL11807920D92067
Weitere Namen anzeigen
Q27117611
Datenbank-Bezeichner
- CAS
5204-64-8- PubChem CID
- 21263
- DTXSID
DTXSID001316753- EC Number
- 628-465-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 84
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Zugehörige Reaktionen
4
Verknüpfte Notizen
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