(R)-3-hydroxy-3-phenylpropionic acid

HCID 6950815CAS 2768-42-5

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Grundinformationen

Standard-SMILES: O=C(O)C[C@@H](O)c1ccccc1
InChIKey: AYOLELPCNDVZKZ-MRVPVSSYSA-N
Summenformel: C9H10O3
Durchschnittliche Molmasse: 166,17 g/mol

Überblick

(R)-3-hydroxy-3-phenylpropionic acid is a 3-hydroxy-3-phenylpropionic acid. It is an enantiomer of a (S)-3-hydroxy-3-phenylpropionic acid.

Namen und Bezeichner

Bevorzugter Name: (R)-3-hydroxy-3-phenylpropionic acid
IUPAC: (3R)-3-hydroxy-3-phenylpropanoic acid

Namen und Synonyme

2768-42-5(3R)-3-hydroxy-3-phenylpropanoic acid(R)-3-hydroxy-3-phenylpropionic acidCHEBI:51059RefChem:70260681-742-8(R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID(r)-3-hydroxy-3-phenylpropanoic acidMFCD00145219Benzenepropanoic acid, beta-hydroxy-, (betaR)-Benzenepropanoic acid, |A-hydroxy-, (|AR)-SCHEMBL904476

Weitere Namen anzeigen

(r)-3-hydroxy-3-phenylpropanoicacidAKOS027320973(3R)-3-hydroxy-3-phenyl-propanoic acidAS-64780SY147700(r)-(+)-3-hydroxy-3-phenylpropanoic acidCS-0207172EN300-125238

Datenbank-Bezeichner

CAS: 2768-42-5
PubChem CID: 6950815
ChEBI: CHEBI:51059
EC Number: 108-986-5、681-742-8
Nikkaji: J61.916G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]