cis-Epoxysuccinate

HCID 2734802CAS 16533-72-5

基本情報

標準SMILES: O=C(O)[C@H]1O[C@H]1C(=O)O
InChIKey: DCEMCPAKSGRHCN-XIXRPRMCSA-N
分子式: C4H4O5
平均分子量: 132.07 g/mol

名称と識別子

優先名称: cis-Epoxysuccinate
IUPAC: (2R,3S)-oxirane-2,3-dicarboxylic acid

名称と別名

cis-epoxysuccinateRefChem:577397cis-Epoxysuccinic acid16533-72-5(2R,3S)-oxirane-2,3-dicarboxylic acid2,3-Oxiranedicarboxylic acid, (2R,3S)-rel-MFCD00191645cis-2,3-Oxiranedicarboxylic acidcis-2,3 expoxysuccinatecis-2,3-Epoxysuccinic acidcis-AthylenoxiddicarbonsA currencyureGEO-01295

名称をさらに表示

NCGC00013522NCGC00013522-02(2S,3R)-oxirane-2,3-dicarboxylic acidAS-65405HY-125791CS-0099343E0449D90518

データベース識別子

CAS: 16533-72-5、2222820-55-3
PubChem CID: 2734802
DTXSID: DTXSID401016953
ChEMBL: CHEMBL1741775
EC Number: 240-604-3
Nikkaji: J27.177B

物性

構造計算による物性

XLogP: -0.9
極性表面積: 87.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 144

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.