(2R)-2-methyl-3-phenylpropanoic acid

HCID 5287791CAS 14367-67-0

基本情報

標準SMILES: C[C@H](Cc1ccccc1)C(=O)O
InChIKey: MCIIDRLDHRQKPH-MRVPVSSYSA-N
分子式: C10H12O2
平均分子量: 164.2 g/mol

名称と識別子

優先名称: (2R)-2-methyl-3-phenylpropanoic acid
IUPAC: (2R)-2-methyl-3-phenylpropanoic acid

名称と別名

(2R)-2-methyl-3-phenylpropanoic acid14367-67-0RefChem:397271862-637-8(R)-2-Methyl-3-phenylpropionic acidSCHEMBL265577MCIIDRLDHRQKPH-MRVPVSSYSA-Nalpha(R)-methylbenzenepropionic acid(2R)-2-methyl-3-phenylpropanoicacidEN300-212803

データベース識別子

CAS: 14367-67-0
PubChem CID: 5287791
EC Number: 862-637-8
Nikkaji: J70.840B

物性

構造計算による物性

XLogP: 2.1
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: 3
重原子数: 12
形式電荷: 0
複雑度: 148

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)