Methyl 4-methoxy-beta-oxobenzenepropanoate

HCID 2759699CAS 22027-50-5

基本情報

標準SMILES: COC(=O)CC(=O)c1ccc(OC)cc1
InChIKey: VXXOASOINNOPGR-UHFFFAOYSA-N
分子式: C11H12O4
平均分子量: 208.21 g/mol
単同位体質量: 208.07355886

名称と識別子

優先名称: Methyl 4-methoxy-beta-oxobenzenepropanoate
IUPAC: methyl 3-(4-methoxyphenyl)-3-oxopropanoate

名称と別名

22027-50-5DTXSID10885188RefChem:816502DTXCID001024582Methyl 4-methoxy-beta-oxobenzenepropanoate244-732-0Benzenepropanoic acid, 4-methoxy-beta-oxo-, methyl estermethyl 3-(4-methoxyphenyl)-3-oxopropanoateMethyl 3-(4-methoxyphenyl)-3-oxopropionateMethyl 4-methoxybenzoylacetateMethyl 3-(4-methoxyphenyl)-3-oxo-propionate22077-50-5

名称をさらに表示

3-(4-Methoxyphenyl)-3-oxo-propionic acid methylesterMFCD010820333-(4-Methoxyphenyl)-3-oxo-propionic acid methyl esterMethyl4-methoxybenzoylacetate3-(4-methoxyphenyl)-3-oxopropionic acid methyl esterSCHEMBL1398724SCHEMBL10543820CBI-BB ZERO/004684

データベース識別子

CAS: 22027-50-5
PubChem CID: 2759699
DTXSID: DTXSID10885188
EC Number: 244-732-0
Nikkaji: J225.524C

物性

構造計算による物性

XLogP: 1.6
極性表面積: 52.6 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: 5
重原子数: 15
形式電荷: 0
複雑度: 229

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

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.