4-Phenyl-cyclohexanecarboxylic acid

HCID 344812CAS 7494-76-0

基本情報

標準SMILES: O=C(O)C1CCC(c2ccccc2)CC1
InChIKey: SYYSTPDYCASVSQ-UHFFFAOYSA-N
分子式: C13H16O2
平均分子量: 204.26 g/mol
単同位体質量: 204.11502975

名称と識別子

優先名称: 4-Phenyl-cyclohexanecarboxylic acid
IUPAC: 4-phenylcyclohexane-1-carboxylic acid
英語名: 4-Phenyl-cyclohexanecarboxylic acid
分子式: C13H16O2
分子量: 204.26

名称と別名

4-Phenyl-cyclohexanecarboxylic acidRefChem:526387691-418-87494-76-04-Phenylcyclohexanecarboxylic acid4-phenylcyclohexane-1-carboxylic acidtrans-4-Phenylcyclohexanecarboxylic acid1466-73-5MFCD00452664MFCD24479551trans-4-henylcyclohexanecarboxylic acidAtovaquone Impurity 23

名称をさらに表示

Cyclohexanecarboxylic acid, 4-phenyl-4-phenylcyclohexane-1-carboxylic acid - [P25203]

Cyclohexanecarboxylic acid, 4-phenyl-, trans-Cambridge id 5301879(1r,4r)-4-Phenylcyclohexane-1-carboxylic acidOprea1_230010Oprea1_60980056288-51-8SCHEMBL664284SCHEMBL2511695

データベース識別子

CAS: 7494-76-0
PubChem CID: 344812
DTXSID: DTXSID10996445
EC Number: 691-418-8
Nikkaji: J274.231D

物性

構造計算による物性

XLogP: 3.1
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 211

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.