Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester

HCID 520596CAS 32811-76-0

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C1CCC(O)C1
InChIKey: ASZRODBLMORHAR-UHFFFAOYSA-N
分子式: C7H12O3
平均分子量: 144.17 g/mol
単同位体質量: 144.07864424

概要

See other relationships...

名称と識別子

優先名称: Cyclopentanecarboxylic acid, 3-hydroxy-, methyl ester
IUPAC: methyl 3-hydroxycyclopentane-1-carboxylate
英語名: Methyl 3-Hydroxycyclopentanecarboxylate
分子式: C7H12O3
分子量: 144.17

名称と別名

32811-76-0methyl 3-hydroxycyclopentane-1-carboxylateCyclopentanecarboxylic acid, 3-hydroxy-, methyl esterDTXSID601215959RefChem:580986DTXCID301647298856-589-7Methyl 3-hydroxycyclopentanecarboxylate3-Hydroxy-cyclopentanecarboxylic acid methyl esterMFCD20040367methyl (1S)-3-hydroxycyclopentane-1-carboxylatemethyl cis-3-hydroxycyclopentane-1-carboxylate

名称をさらに表示

(3-Bromophenyl)(phenyl)methanaminehcl3-hydroxyCyclopentane carboxylic acid Methyl ester

79598-73-5SCHEMBL417483ASZRODBLMORHAR-UHFFFAOYSA-NHBA81176Methyl3-hydroxycyclopentanecarboxylateAKOS023611673SB11634SB12598

データベース識別子

CAS: 32811-76-0
PubChem CID: 520596
DTXSID: DTXSID601215959
EC Number: 856-589-7

物性

構造計算による物性

XLogP: 0.3
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: 2
重原子数: 10
形式電荷: 0
複雑度: 133

物理化学的性質

沸点: 106 °C · 106 °C(Press: 15 Torr)
比重(密度): 1.169 · 1.169±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 14.84 · 14.84±0.40(Predicted)

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.