CAS 623565-56-0 6,7-dihydro-4H-[1,2,3]oxadiazolo[4,3-c][1,4]oxazin-8-ium-3-olate (HCID 11845091)

基本情報

CAS: 623565-56-0
標準SMILES: [O-]c1on[n+]2c1COCC2
InChIKey: CQWIABLKKCDQJH-UHFFFAOYSA-N
分子式: C5H6N2O3
平均分子量: 142.11 g/mol

名称と識別子

優先名称: 6,7-dihydro-4H-[1,2,3]oxadiazolo[4,3-c][1,4]oxazin-8-ium-3-olate
IUPAC: 6,7-dihydro-4H-oxadiazolo[4,3-c][1,4]oxazin-8-ium-3-olate

名称と別名

623565-56-06,7-Dihydro-4H-[1,2,3]oxadiazolo[4,3-c][1,4]oxazin-8-ium-3-olate6,7-dihydro-4H-(1,2,3)oxadiazolo(4,3-c)(1,4)oxazin-8-ium-3-olateRefChem:538654824-565-54H,6H,7H-8lambda5-[1,2,3]oxadiazolo[4,3-c][1,4]oxazin-8-ylium-3-olateSCHEMBL3546436CQWIABLKKCDQJH-UHFFFAOYSA-NYZA56556MFCD301889514H,6H,7H-8SY348153

名称をさらに表示

EN300-2442796,7-dihydro-4H-oxadiazolo[4,3-c][1,4]oxazin-8-ium-3-olate4H,6H,7H-8|E?-[1,2,3]oxadiazolo[4,3-c][1,4]oxazin-8-ylium-3-olate

データベース識別子

CAS: 623565-56-0
PubChem CID: 11845091
EC Number: 824-565-5

物性

構造計算による物性

XLogP: 0.6
極性表面積: 62.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 132

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.