Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

HCID 67339971

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基本情報

CAS: 1001180-78-4
標準SMILES: CCOC(=O)C1C(=O)CCC1(C)C
InChIKey: CDOYMQTVAXPCPY-UHFFFAOYSA-N
分子式: C10H16O3
平均分子量: 184.23 g/mol

名称と識別子

優先名称: Ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
IUPAC: ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate

名称と別名

ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate1001180-78-4RefChem:593433868-348-3ethyl 2,2-dimethyl-5-oxocyclopentanecarboxylateethyl2,2-dimethyl-5-oxocyclopentane-1-carboxylateSCHEMBL2264463CDOYMQTVAXPCPY-UHFFFAOYSA-NBQB18078EN300-112385

データベース識別子

CAS: 1001180-78-4
PubChem CID: 67339971
EC Number: 868-348-3
Nikkaji: J2.230.918H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 230

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.