Grundinformationen
- Standard-SMILES
CCOC(=O)c1cc(=O)c2ccc(O)cc2o1- InChIKey
RKIMFICEWCXBCE-UHFFFAOYSA-N- Summenformel
- C12H10O5
- Durchschnittliche Molmasse
- 234,2 g/mol
- Monoisotopische Masse
- 234,05282342
Namen und Bezeichner
- Bevorzugter Name
- ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylate
- IUPAC
- ethyl 7-hydroxy-4-oxochromene-2-carboxylate
- Englischer Name
- ETHYL 7-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLATE
- Summenformel
- C12H10O5
- Molmasse
- 234.2
Namen und Synonyme
23866-72-0Ethyl 7-hydroxy-4-oxo-4H-chromen-2-carboxylateDTXSID70178568RefChem:138852DTXCID301010597-hydroxy-4-oxo-4H-chromen-2--carboxylic acid ethyl esterEthyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylateethyl 7-hydroxy-4-oxochromene-2-carboxylateMFCD00100382ethyl 7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylateCHEMBL827492-ethoxycarbonyl-7-hydroxychromone
Weitere Namen anzeigen
ethyl7-hydroxy-4-oxochromene-2-carboxylateEthyl7-hydroxy-4-oxo-4H-chromene-2-carboxylate97%Ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate 97%Ethyl7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate97%Ethyl 7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate 97%7-Hydroxy-4-oxo-4H-1-benzopyran-2-carboxylic acid ethyl ester
4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-4-oxo-, ethyl ester7-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid ethyl esterMaybridge1_0020824H-1-Benzopyran-2-carboxylicacid, 7-hydroxy-4-oxo-, ethyl esterOprea1_029571SCHEMBL1021783SCHEMBL29495537HMS547G14
Datenbank-Bezeichner
- CAS
23866-72-0- PubChem CID
- 5376802
- DTXSID
DTXSID70178568- ChEMBL
CHEMBL82749- Nikkaji
- J104.311K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 72,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 360
Physikochemische Eigenschaften
- Schmelzpunkt
- 222 °C · 222 °C
- Siedepunkt
- 408.6 · 408.6±45.0 °C(Predicted)
- Dichte
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.40(Predicted)
- CAS Datenbank
- 23866 · 23866-72-0
Sicherheit und Regulatorisches
Sicherheitsdaten
- hs_code
- 2932990090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
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