Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate

HCID 54686161CAS 121582-53-4

基本情報

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

関連反応

22 件

関連ノート

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