Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
基本情報
- CAS
121582-53-4- 標準SMILES
COC(=O)c1nn(-c2ccccc2)c(=O)cc1O- InChIKey
PKKHFXIPQXUWGN-UHFFFAOYSA-N- 分子式
- C12H10N2O4
- 平均分子量
- 246.22 g/mol
- 単同位体質量
- 246.0640568
名称と識別子
- 優先名称
- Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
- IUPAC
- methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
名称と別名
121582-53-4Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylateRefChem:353238methyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylateMethyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylatemethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylateOprea1_773054MLS000696253SCHEMBL388564CHEMBL1733370PKKHFXIPQXUWGN-UHFFFAOYSA-NDTXSID201162409
名称をさらに表示
HMS2631L10AKOS005091784SMR0003333565D-0565-hydroxy-6-methoxycarbonyl-2-phenyl-pyridazin-3(2h)-oneMethyl4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid methyl ester
データベース識別子
- CAS
121582-53-4- PubChem CID
- 54686161
- DTXSID
DTXSID201162409- ChEMBL
CHEMBL1733370- Nikkaji
- J314.415A
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 79.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 422
関連反応
22 件
化合物ノート
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