Methyl 6-hydroxy-1-benzofuran-2-carboxylate

HCID 12082972CAS 182747-75-7

基本信息

标准SMILES: COC(=O)c1cc2ccc(O)cc2o1
InChIKey: QWFLVOPCTQNVAN-UHFFFAOYSA-N
分子式: C10H8O4
平均分子量: 192.17 g/mol

名称与标识

首选名称: Methyl 6-hydroxy-1-benzofuran-2-carboxylate
IUPAC: methyl 6-hydroxy-1-benzofuran-2-carboxylate
英文名: Methyl 6-hydroxybenzofuran-2-carboxylate
分子式: C10H8O4
分子量: 192.17

名称与别名

182747-75-7methyl 6-hydroxy-1-benzofuran-2-carboxylateRefChem:817409841-391-5Methyl 6-hydroxybenzofuran-2-carboxylate2-Benzofurancarboxylic acid, 6-hydroxy-, methyl esterSCHEMBL1068608QWFLVOPCTQNVAN-UHFFFAOYSA-NHHA74775AKOS022183727Methyl6-hydroxybenzofuran-2-carboxylateDB-188144

展开更多名称

Methyl 6-hydroxy-2-benzofurancarboxylate6-hydroxy-benzofuran-2-carboxylic acid methyl ester

EN300-140819Z1486032292

数据库标识

CAS: 182747-75-7
PubChem CID: 12082972
EC Number: 841-391-5

性质

结构计算性质

XLogP: 2.2
极性表面积: 59.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 228

物理化学性质

熔点: 174 °C · 174 °C
沸点: 217.5 · 217.5±10.0 °C(Predicted)
密度: 1.346 · 1.346±0.06 g/cm3(Predicted)
酸度系数(pKa): 8.47 · 8.47±0.40(Predicted)

安全与法规

GHS分类

GHS Classification · 4 条

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.