Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate
Grundinformationen
- CAS
955884-97-6- Standard-SMILES
COC(=O)c1cc(O)c2c(c1)OC(C)(C)C2- InChIKey
NEJMNNJFWLVHHF-UHFFFAOYSA-N- Summenformel
- C12H14O4
- Durchschnittliche Molmasse
- 222,24 g/mol
- Monoisotopische Masse
- 222,08920893
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate
- IUPAC
- methyl 4-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylate
- Englischer Name
- 6-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-4-HYDROXY-2,2-DIMETHYL-, METHYL ESTER
- Summenformel
- C12H14O4
- Molmasse
- 222.24
Namen und Synonyme
955884-97-6methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylateDTXSID60648629RefChem:355728DTXCID10599379696-367-5Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylatemethyl 4-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylateMFCD11226227SCHEMBL642957NEJMNNJFWLVHHF-UHFFFAOYSA-NMethyl4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylate
Weitere Namen anzeigen
2,3-dihydro-4-hydroxy-2,2-dimethyl-6-BenzofuranCarbocylic acidMethyl 4-hydroxy-2,2-diMethyl-2,3-dihydro-1- benzofuran-6-carboxylate6-BENZOFURANCARBOXYLIC ACID, 2,3-DIHYDRO-4-HYDROXY-2,2-DIMETHYL-, METHYL ESTER4-Hydroxy-2,2-Dimethyl-2,3-Dihydro-Benzofuran-6-Carboxylic Acid Methyl Ester(WX618118)
2,3-Dihydro-4-hydroxy-2,2-dimethyl-6-benzofurancarboxylic acid methyl ester4-hydroxy-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid methyl esterAKOS015996973SS-4388DB-080302methyl 4-hydroxy-2,2-dimethyl-3H-benzofuran-6-carboxylateMethyl 4-hydroxy-22-dimethyl-23-dihydrobenzofuran-6-carboxylate4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylic acid methyl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 287
Physikochemische Eigenschaften
- Siedepunkt
- 356.5 · 356.5±42.0 °C(Predicted)
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.09 · 9.09±0.40(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2932990090
Chemie und Industrie
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江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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