Methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

HCID 12271748CAS 21987-33-7

基本情報

標準SMILES: COC(=O)C1CC2C=CC1O2
InChIKey: OZONFNLDQRXRGI-UHFFFAOYSA-N
分子式: C8H10O3
平均分子量: 154.16 g/mol
単同位体質量: 154.06299418

名称と識別子

優先名称: Methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
IUPAC: methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate

名称と別名

methyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylatemethyl 7-oxabicyclo(2.2.1)hept-5-ene-2-carboxylateRefChem:817514832-706-721987-33-77-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl estermethyl 7-oxa-5-norbornen-2-carboxylateMFCD24499834MFCD32670547starbld0027456methyl endo-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylateSCHEMBL2960975

名称をさらに表示

DTXSID50483460OZONFNLDQRXRGI-UHFFFAOYSA-N17791-33-2WAA98733204988-60-3AS-79140SY344230D79375

データベース識別子

CAS: 21987-33-7
PubChem CID: 12271748
DTXSID: DTXSID50483460
EC Number: 832-706-7
Nikkaji: J1.843.069J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 35.5 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: 2
重原子数: 11
形式電荷: 0
複雑度: 209

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

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