HCID68437

Meconin

6,7-dimethoxy-3H-2-benzofuran-1-one

C10H10O4194.18 g/molCAS 569-31-3

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(c1OC)C(=O)OC2
InChIKey: ORFFGRQMMWVHIB-UHFFFAOYSA-N
分子式: C10H10O4
平均分子量: 194.18 g/mol
单同位素质量: 194.0579088

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 44.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 228

PROPERTIES

实验与物化性质

Solubility

2.5 mg/mL at 25 °C

Melting Point

102.5 °C

Physical Description

Solid

Kovats Retention Index

1768；1769；1765

GHS

GHS分类

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

PHARMACOLOGY

药理信息

Cellular Locations

Cytoplasm；Extracellular

USES

用途与制造

Use Classification

Pharmaceuticals

ALIASES

名称与别名

共 77 条

Meconin569-31-3MECONINEOpianyl6,7-Dimethoxyphthalide6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-oneMK5R222CG0NSC-35547DTXSID60205433RefChem:810819DTXCID60127924209-311-86,7-dimethoxyisobenzofuran-1(3H)-one6,7-Dimethoxy-3H-1-isobenzofuranoneMeconic lactoneMekonin6,7-Dimethoxy-2-benzofuran-1(3H)-one6,7-dimethoxy-3H-2-benzofuran-1-oneMFCD002193546,7-Dimethoxy-1(3H)-isobenzofuranone

REACTIONS