CAS 21987-33-7 Methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate (HCID 12271748)

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Grundinformationen

CAS: 21987-33-7
Standard-SMILES: COC(=O)C1CC2C=CC1O2
InChIKey: OZONFNLDQRXRGI-UHFFFAOYSA-N
Summenformel: C8H10O3
Durchschnittliche Molmasse: 154,16 g/mol
Monoisotopische Masse: 154,06299418

Namen und Bezeichner

Bevorzugter Name: Methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
IUPAC: methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

Namen und Synonyme

methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylatemethyl 7-oxabicyclo(2.2.1)hept-5-ene-2-carboxylateRefChem:817514832-706-721987-33-77-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl estermethyl 7-oxa-5-norbornen-2-carboxylateMFCD24499834MFCD32670547starbld0027456methyl endo-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylateSCHEMBL2960975

Weitere Namen anzeigen

DTXSID50483460OZONFNLDQRXRGI-UHFFFAOYSA-N17791-33-2WAA98733204988-60-3AS-79140SY344230D79375

Datenbank-Bezeichner

CAS: 21987-33-7
PubChem CID: 12271748
DTXSID: DTXSID50483460
EC Number: 832-706-7
Nikkaji: J1.843.069J

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 0,4
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 209

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, 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.