CAS 51991-39-0 methyl 5-hydroxy-1H-indole-2-carboxylate (HCID 21904362)

基本情報

CAS: 51991-39-0
標準SMILES: COC(=O)c1cc2cc(O)ccc2[nH]1
InChIKey: JOGDFBLWRNQZRO-UHFFFAOYSA-N
分子式: C10H9NO3
平均分子量: 191.18 g/mol
単同位体質量: 191.05824315

名称と識別子

優先名称: methyl 5-hydroxy-1H-indole-2-carboxylate
IUPAC: methyl 5-hydroxy-1H-indole-2-carboxylate
英語名: 1H-Indole-2-carboxylic acid, 5-hydroxy-, methyl ester
分子式: C10H9NO3
分子量: 191.18

名称と別名

methyl 5-hydroxy-1H-indole-2-carboxylate51991-39-0RefChem:817097868-051-95-Hydroxy-1H-indole-2-carboxylic acid methyl ester1H-Indole-2-carboxylic acid, 5-hydroxy-, methyl esterSCHEMBL217022CHEMBL144459SCHEMBL31207830JOGDFBLWRNQZRO-UHFFFAOYSA-NDTXSID201382780BCA99139

名称をさらに表示

methyl 5-hydroxy-1H-indene- 2-carboxylate

Methyl5-hydroxyindole-2-carboxylateLH0054EBC-612529methyl5-hydroxy-1H-indole-2-carboxylateDA-05255G46096EN300-6472916Z1216819831

データベース識別子

CAS: 51991-39-0
PubChem CID: 21904362
DTXSID: DTXSID201382780
ChEMBL: CHEMBL144459
EC Number: 868-051-9
Nikkaji: J1.299.941K

物性

構造計算による物性

XLogP: 2.1
極性表面積: 62.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 231

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.