HCID266588

Methyl 2-(1,3-dioxaindan-5-yl)acetate

methyl 2-(1,3-benzodioxol-5-yl)acetate

C10H10O4194.18 g/molCAS 326-59-0

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1ccc2c(c1)OCO2
InChIKey: HEMYXNDMAAOTCK-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: 1.7
极性表面积: 44.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 216

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 39 条

Methyl 2-(1,3-dioxaindan-5-yl)acetateRefChem:813126608-764-2326-59-0Methyl 2-(2H-1,3-benzodioxol-5-yl)acetateMethyl 2-(benzo[d][1,3]dioxol-5-yl)acetate1,3-Benzodioxole-5-acetic acid methyl ester1,3-Benzodioxole-5-acetic acid, methyl estermethyl 2-(1,3-benzodioxol-5-yl)acetateMFCD08753503benzo[1,3]dioxol-5-yl-acetic acid methyl esterMethyl 1,3-benzodioxol-5-ylacetatemethyl (3,4-methylenedioxyphenyl)acetate5110-79-2methyl 2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)acetateMethyl 1,3-Benzodioxole-5-acetateMethyl homopiperonylatemethyl 2-benzo[1,3]dioxol-5-ylacetate[3,4-(Methylenedioxy)phenyl]acetic Acid Methyl EsterSCHEMBL1744784

REACTIONS

参与反应

44 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05391566

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uspto-grants-1995_02 · 10.6084/m9.figshare.5104873.v1 · US05391566

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

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

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uspto-grants-1999_04 · 10.6084/m9.figshare.5104873.v1 · US05891871

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