HCID10104791

methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

methyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate

C13H14O3218.25 g/molCAS 74821-55-9

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1CCCc2ccccc2C1=O
InChIKey: JDXIXQIVFXMNGR-UHFFFAOYSA-N
分子式: C13H14O3
平均分子量: 218.25 g/mol
单同位素质量: 218.0942943

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 285

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 16 条

methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate74821-55-9methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo(7)annulene-6-carboxylateRefChem:817168970-276-3methyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylateMFCD23743203SCHEMBL2166539JDXIXQIVFXMNGR-UHFFFAOYSA-NZCA82155AKOS018236451EN300-126298G71310F982109methyl5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylatemethyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene-6-carboxylate

REACTIONS