ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
Grundinformationen
- CAS
802541-13-5- Standard-SMILES
CCOC(=O)c1nn(C)c2c1CCCC2=O- InChIKey
CYKSYDSDCBBLQG-UHFFFAOYSA-N- Summenformel
- C11H14N2O3
- Durchschnittliche Molmasse
- 222,24 g/mol
- Monoisotopische Masse
- 222,10044231
Namen und Bezeichner
- Bevorzugter Name
- ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
- IUPAC
- ethyl 1-methyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylate
- Englischer Name
- 1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester(9CI)
- Summenformel
- C11H14N2O3
- Molmasse
- 222.24
Namen und Synonyme
802541-13-5ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1-methyl-7-oxo-, ethyl esterMFCD166590871-Methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl esterethyl 1-methyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylateEthyl 1-methyl-7-oxo-4567-tetrahydro-1H-indazole-3-carboxylateethyl 1-mSCHEMBL3502504DTXSID00657997CYKSYDSDCBBLQG-UHFFFAOYSA-NAKOS015850956
Weitere Namen anzeigen
ethyl 1-methyl-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-indazole-3-carboxylate4,5,6,7-Tetrahydro-1-methyl-7-oxo-1H-indazole-3-carboxylicacid ethyl ester1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester(9CI)
CS-W006618SB38827AC-22820DS-12055SY101919DB-024849F30191F093607
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 61,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 306
Physikochemische Eigenschaften
- storage temp.
- Sealed in dry,Room Temperature
Chemie und Industrie
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