基本情報
- CAS
15873-27-5- 標準SMILES
O=C(O)CCC(=O)c1ccc(=O)[nH]c1- InChIKey
OMAJIMAYOJBLJF-UHFFFAOYSA-N- 分子式
- C9H9NO4
- 平均分子量
- 195.17 g/mol
- 単同位体質量
- 195.05315777
概要
4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid is a 4-oxo monocarboxylic acid that is succinic acid in which one of the carboxyl hydroxy groups is substituted by a 6-hydroxypyridin-3-yl group. It is a 4-oxo monocarboxylic acid, a monohydroxypyridine and an aromatic ketone. It is functionally related to a succinic acid. It is a conjugate acid of a 4-(6-hydroxypyridin-3-yl)-4-oxobutyrate.
名称と識別子
- 優先名称
- 6-Hydroxy-3-succinoylpyridine
- IUPAC
- 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
名称と別名
6-Hydroxy-3-succinoylpyridine6-hydroxy-3-succinoyl-pyridineRefChem:91396115873-27-54-(6-hydroxypyridin-3-yl)-4-oxobutanoic acid4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid4-oxo-4-(6-oxo-1,6-dihydropyridin-3-yl)butanoic acid4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid4-Oxidanylidene-4-(6-Oxidanylidene-1~{h}-Pyridin-3-Yl)butanoic Acid4-Oxo-4-(6-oxo-1,6-dihydro-3-pyridyl)butyric acidSCHEMBL8619424SCHEMBL27658803
名称をさらに表示
CHEBI:66946OMAJIMAYOJBLJF-UHFFFAOYSA-NDTXSID101251625C19631EN300-86372611,6-Dihydro-I(3),6-dioxo-3-pyridinebutanoic acid3-Pyridinebutanoic acid, 1,6-dihydro-gamma,6-dioxo-Q27135534
データベース識別子
- CAS
15873-27-5- PubChem CID
- 579061
- DTXSID
DTXSID101251625- ChEBI
CHEBI:66946- Nikkaji
- J873.890D
物性
構造計算による物性
- XLogP
- -1
- 極性表面積
- 83.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 341
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