HRID29311
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420001B2
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- Cc1c(C(=O)O)oc2ccccc12
- InChIKey
- YMZTUCZCQMQFMK-UHFFFAOYSA-N
- 分子式
- C10H8O3
- 平均分子量
- 176.17 g/mol
- 单同位素质量
- 176.04734411
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 50.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 214
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]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)
ALIASES
名称与别名
3-Methyl-1-benzofuran-2-carboxylic acidRefChem:503478674-127-03-Methylbenzofuran-2-carboxylic acid24673-56-12-Benzofurancarboxylic acid, 3-methyl-MFCD000605113-methyl-2-benzofurancarboxylic acid3-Methyl-benzofuran-2-carboxylic acid3-methylbenzo[b]furan-2-carboxylic acidJLMChemDiv3_001344Cambridge id 5100668Oprea1_623648Oprea1_814806SCHEMBL442779SCHEMBL788815orb3029629SCHEMBL3483442SCHEMBL27570526
REACTIONS
参与反应
HRID29452
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420001B2
查看条件与参与物HRID29457
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420001B2
查看条件与参与物HRID108496
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID144991
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID149239
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID202745
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID339336
uspto-grants-2014_11
作为反应物
uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895050B2
查看条件与参与物