HCID77785

7-Methoxy-2-tetralone

7-methoxy-3,4-dihydro-1H-naphthalen-2-one

C11H12O2176.21 g/molCAS 4133-34-0

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(c1)CC(=O)CC2
InChIKey: XEAPZXNZOJGVCZ-UHFFFAOYSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
单同位素质量: 176.08372962

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 200

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H316 (100%): Causes mild skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, P332+P317, and P337+P317 (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

Regulatory Information

Status: Cease Manufacture Update: 05-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21233

Hazard Classes and Categories

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

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Cease Manufacture Update: 05-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21233

ALIASES

名称与别名

共 45 条

7-Methoxy-2-tetralone4133-34-07-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneWF978B639SDTXSID00194296RefChem:106279DTXCID10116787223-954-17-methoxy-3,4-dihydronaphthalen-2(1h)-one3,4-Dihydro-7-methoxy-2(1H)-naphthalenone7-methoxy-3,4-dihydro-1H-naphthalen-2-oneMFCD000017307-METHOXYL-2-TETRALONE7-Methoxy-3,4-dihydronaphthalen-2-one2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-7-methoxytetralin-2-one7-methoxy-1,3,4-trihydronaphthalen-2-oneEINECS 223-954-1SCHEMBL43307UNII-WF978B639S

REACTIONS

参与反应

72 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04150032

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04150032

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440922B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846741B2

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

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234731

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uspto-grants-1980_11 · 10.6084/m9.figshare.5104873.v1 · US04234731

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