5-Cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid

HCID 22309080

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Grundinformationen

CAS: 943130-42-5
Standard-SMILES: O=C(O)c1c(-c2ccccc2)noc1C1CC1
InChIKey: AYTSCQOWGJBLDX-UHFFFAOYSA-N
Summenformel: C13H11NO3
Durchschnittliche Molmasse: 229,23 g/mol
Monoisotopische Masse: 229,07389321

Namen und Bezeichner

Bevorzugter Name: 5-Cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
IUPAC: 5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Englischer Name: 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-
Summenformel: C13H11NO3
Molmasse: 229.23

Namen und Synonyme

943130-42-55-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylic acidRefChem:535215877-546-95-cyclopropyl-3-phenylisoxazole-4-carboxylic acid5-Cyclopropyl-3-phenyl-isoxazole-4-carboxylic acidSCHEMBL1930966AYTSCQOWGJBLDX-UHFFFAOYSA-NTMB13042AKOS026706401CS-0243555EN300-265460

Weitere Namen anzeigen

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-phenyl-

5-cyclopropyl-3-phenyl-1,2-oxazole-4-carboxylicacidF1907-0533

Datenbank-Bezeichner

CAS: 943130-42-5
PubChem CID: 22309080
EC Number: 877-546-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 297

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.