(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

HCID 641720

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 73991-95-4
標準SMILES: CC1(C)OC(=O)[C@H](CC(=O)O)O1
InChIKey: IDQOCLIWDMZKBZ-BYPYZUCNSA-N
分子式: C7H10O5
平均分子量: 174.15 g/mol

名称と識別子

優先名称: (S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC: 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid

名称と別名

73991-95-4(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acidMFCD00211273((4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic(S)-(+)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid(S)-(2,2-dimethyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid1,3-dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4S)-2-((4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(L)-malic acid acetonideSCHEMBL1005092

名称をさらに表示

IDQOCLIWDMZKBZ-BYPYZUCNSA-N(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)aceticacidAKOS016844195AS-69836SY033294DB-074771CS-0101555ST50405906

データベース識別子

CAS: 73991-95-4
PubChem CID: 641720
EC Number: 627-763-8
Nikkaji: J2.388.100D

物性

構造計算による物性補完中

XLogP: 0
極性表面積: 72.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 220

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.