8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acid 分子结构式
HCID302872

8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acid

dibenzofuran-4-carboxylic acid

C13H8O3212.2 g/molCAS 2786-05-2

IDENTITY

结构与身份

标准SMILES
O=C(O)c1cccc2c1oc1ccccc12
InChIKey
BSMAWCXKHJSJIB-UHFFFAOYSA-N
分子式
C13H8O3
平均分子量
212.2 g/mol
单同位素质量
212.04734411

COMPUTED

结构计算性质

已同步
XLogP
3.2
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
16
形式电荷
0
复杂度
289

GHS

GHS分类

来源:PubChem
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 (100%): 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)

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

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 30 条
8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acid8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acidRefChem:548370877-909-1Dibenzofuran-4-carboxylic acid2786-05-2dibenzo[b,d]furan-4-carboxylic acid4-Dibenzofurancarboxylic acidMFCD00092335SCHEMBL783749DTXSID70307275ALBB-026103CS-D0495BBL003344NSC190611SBB037952STK803146Dibenzofuran-4-carboxylic acid, 97%AKOS003348857AB03310

REACTIONS

参与反应

6
HRID 302568 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 948175 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 984750 反应方程式

uspto-grants-2005_03 · 10.6084/m9.figshare.5104873.v1 · US06867192B1

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HRID 1281733 反应方程式

uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06455520B1

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HRID 2055097 反应方程式

uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07332483B2

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HRID 2117347 反应方程式

uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07442704B2

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