Methyl 3-hydroxy-3-phenylpropanoate

HCID 347841

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7497-61-2
標準SMILES: COC(=O)CC(O)c1ccccc1
InChIKey: VZHHCQFCDCJKIX-UHFFFAOYSA-N
分子式: C10H12O3
平均分子量: 180.2 g/mol
単同位体質量: 180.07864424

名称と識別子

優先名称: Methyl 3-hydroxy-3-phenylpropanoate
IUPAC: methyl 3-hydroxy-3-phenylpropanoate
英語名: NSC406731
分子式: C10H12O3
分子量: 180.2

名称と別名

Methyl 3-hydroxy-3-phenylpropanoateDTXSID20324437RefChem:355041DTXCID002755547497-61-23-hydroxy-3-phenyl-propionic acid methyl esterMFCD19691249Benzenepropanoic acid, b-hydroxy-, methyl esterMethyl 3-hydroxy-3-phenylpropionate(R)-Methyl 3-hydroxy-3-phenylpropanoateBenzenepropanoic acid, beta-hydroxy-, methyl esterNSC406731

名称をさらに表示

Benzenepropanoic acid, β-hydroxy-, methyl ester

SCHEMBL3978916Methyl3-hydroxy-3-phenylpropanoatemethyl 3-phenyl-3-hydroxypropionatemethyl 3-hydroxy-3-phenyl-propanoateMethyl 3-Hydroxy-3-phenyl-propionateMethyl 3-hydroxy-3-phenylpropanoate #NSC-406731SB47596

データベース識別子

CAS: 7497-61-2
PubChem CID: 347841
DTXSID: DTXSID20324437
EC Number: 103-772-8
Nikkaji: J384.923F

物性

構造計算による物性

XLogP: 0.9
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: 4
重原子数: 13
形式電荷: 0
複雑度: 162

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.