1-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid

HCID 14349608CAS 862574-89-8

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Grundinformationen

Standard-SMILES: O=C(O)C1(c2ccc3c(c2)OCO3)CC1
InChIKey: NZZVDTIYQUASAT-UHFFFAOYSA-N
Summenformel: C11H10O4
Durchschnittliche Molmasse: 206,19 g/mol
Monoisotopische Masse: 206,0579088

Namen und Bezeichner

Bevorzugter Name: 1-(1,3-Dioxaindan-5-yl)cyclopropane-1-carboxylic acid
IUPAC: 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
Englischer Name: 1-(1,3-Benzodioxol-5-yl)cyclopropanecarboxylic acid
Summenformel: C11H10O4
Molmasse: 206.19

Namen und Synonyme

1-(1,3-dioxaindan-5-yl)cyclopropane-1-carboxylic acidRefChem:419378807-215-6862574-89-81-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid1-(1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACIDMFCD099079221-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid1-(1,3-Benzodioxol-5-yl)cyclopropane-carboxylic acid1-(BENZODIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACID1-(2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE-1-CARBOXYLIC ACID

Weitere Namen anzeigen

UKRORGSYN-BB BBV-2233281-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid - [B93689]

1-(BENZO[D][1,3]DIOXOL-6-YL)CYCLOPROPANECARBOXYLIC ACID1-(benzo[d)[1,3]dioxol-6-yl)cyclopropanecarboxylic acid1-BENZO(1,3)DIOXOL-5-YL-CYCLOPROPANECARBOXYLIC ACIDSCHEMBL699497Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-DTXSID90559254NZZVDTIYQUASAT-UHFFFAOYSA-N1-(benzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid

Datenbank-Bezeichner

CAS: 862574-89-8
PubChem CID: 14349608
DTXSID: DTXSID90559254
EC Number: 807-215-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 284

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.