Cyclohexoxyacetic acid

HCID 191994

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基本情報

CAS: 71995-54-5
標準SMILES: O=C(O)COC1CCCCC1
InChIKey: GOLVMRZULJWHGT-UHFFFAOYSA-N
分子式: C8H14O3
平均分子量: 158.19 g/mol
単同位体質量: 158.09429431

名称と識別子

優先名称: Cyclohexoxyacetic acid
IUPAC: 2-cyclohexyloxyacetic acid
英語名: Cyclohexyloxy-acetic acid
分子式: C8H14O3
分子量: 158.2

名称と別名

71995-54-5Cyclohexoxyacetic acidCyclohexyloxyacetic acidAcetic acid, (cyclohexyloxy)-DTXSID70222272RefChem:129668DTXCID701447632-(cyclohexyloxy)acetic acid(cyclohexyloxy)acetic acidCyclohexyloxy-acetic acid2-cyclohexyloxyacetic acidMFCD03001653

名称をさらに表示

AKOS AU36-M542-(Cyclohexyloxy)Acetic acid, 2-(cyclohexyloxy)-

2-(Cyclohexyloxy)aceticAcidCyclohexyloxy acetic acidSCHEMBL1734827SCHEMBL6959547GOLVMRZULJWHGT-UHFFFAOYSA-NWCA99554AKOS000191940BS-13464

データベース識別子

CAS: 71995-54-5
PubChem CID: 191994
DTXSID: DTXSID70222272
EC Number: 675-501-6
Nikkaji: J1.139.468J

物性

構造計算による物性

XLogP: 1.5
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 127

物理化学的性質

貯蔵温度: Store at Room Tem.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.