Methyl hydrogen oxalate

HCID 425440CAS 600-23-7

基本情報

標準SMILES: COC(=O)C(=O)O
InChIKey: CPKISUMKCULUNR-UHFFFAOYSA-N
分子式: C3H4O4
平均分子量: 104.06 g/mol

名称と識別子

優先名称: Methyl hydrogen oxalate
IUPAC: 2-methoxy-2-oxoacetic acid

名称と別名

METHYL HYDROGEN OXALATERefChem:817786816-908-22-methoxy-2-oxoacetic acidmonomethyl oxalateEthanedioic acid, monomethyl ester1-Methyl ethanedioateMFCD00785869Ethanedioic acid, 1-methyl ester2-Methoxy-2-oxoacetateOxalsauremethylesterOxalic acid, methyl ester

名称をさらに表示

4SA2XQY8YZ2-methoxy-2-oxoaceticacid(methoxycarbonyl)formic acid2-methoxy-2-oxo-acetic acidOxalic acid, monomethyl esterSCHEMBL126786SCHEMBL5956700SCHEMBL8610470

データベース識別子

CAS: 600-23-7
PubChem CID: 425440
UNII: 4SA2XQY8YZ
EC Number: 816-908-2
Nikkaji: J95.049A

物性

構造計算による物性

XLogP: 0.1
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 95.1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.