HCID336409

Ethyl 3-(furan-3-yl)-3-oxopropanoate

C9H10O4182.17 g/molCAS 36878-91-8

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(=O)c1ccoc1
InChIKey: OVPIQFGJQAQWAJ-UHFFFAOYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol
单同位素质量: 182.0579088

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 56.5 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 13
形式电荷: 0
复杂度: 200

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

ethyl 3-(furan-3-yl)-3-oxopropanoateDTXSID00319785RefChem:594750DTXCID00270908842-893-736878-91-8ethyl 3-oxo-3-(furan-3-yl)propanoateMFCD00011566ethyl 3-(3-furyl)-3-oxopropanoateethyl 3-oxo-3-(3-furyl)propionateEthyl beta-oxo-3-furanpropionateNSC350548ethyl 3-(3-furyl)-3-oxo-propanoateethyl 3-oxo-3-(furan-3-yl)propionateCHEMBL413269SCHEMBL1642808OVPIQFGJQAQWAJ-UHFFFAOYSA-NAKOS009157086ethyl 3-(3-furanyl)-3-oxopropionateEthyl 3-(fur-3-yl)-3-oxopropanoate

REACTIONS

参与反应

10 条

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05424320

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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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211198B1

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06310076B1

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06608086B2

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uspto-grants-1998_06 · 10.6084/m9.figshare.5104873.v1 · US05767131

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uspto-grants-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06982348B2

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