CAS 155380-49-7 Methyl 1-formylcyclobutane-1-carboxylate (HCID 15656335)

基本情報

CAS: 155380-49-7
標準SMILES: COC(=O)C1(C=O)CCC1
InChIKey: ZWKZWJDTPRZFLV-UHFFFAOYSA-N
分子式: C7H10O3
平均分子量: 142.15 g/mol

名称と識別子

優先名称: Methyl 1-formylcyclobutane-1-carboxylate
IUPAC: methyl 1-formylcyclobutane-1-carboxylate
英語名: Cyclobutanecarboxylic acid, 1-formyl-, methyl ester (9CI)
分子式: C7H10O3
分子量: 142.15

名称と別名

155380-49-7METHYL 1-FORMYLCYCLOBUTANE-1-CARBOXYLATERefChem:812720991-110-6methyl 1-formylcyclobutanecarboxylateCyclobutanecarboxylic acid, 1-formyl-, methyl ester (9CI)MFCD15526935SCHEMBL874373Cyclobutanecarboxylic acid, 1-formyl-, methyl esterSCHEMBL1971946ZWKZWJDTPRZFLV-UHFFFAOYSA-Nmethyl1-formylcyclobutanecarboxylate

名称をさらに表示

FGA38049methyl 1-formylcyclobutan-carboxylatemethyl 1-formylcyclobutane-carboxylatemethyl 1-1formylcyclobutane-carboxylateSY272013CS-0460219E72796EN300-109706

データベース識別子

CAS: 155380-49-7
PubChem CID: 15656335
EC Number: 991-110-6

物性

構造計算による物性

XLogP: 0.6
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 158

物理化学的性質

貯蔵温度: -20 °C, · -20°C, stored under nitrogen
InChI: InChI=1S/C7H10O3/c1-10-6(9)7(5-8)3-2-4-7/h5H,2-4H2,1H3
InChIKey: ZWKZWJDTPRZFLV-UHFFFAOYSA-N
SMILES: C1(C=O)(C(OC)=O)CCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.