Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate

HCID 6452354CAS 51156-91-3

基本情報

標準SMILES: C=C(C)C(=O)OCCOC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)OCCOC(=O)C(=C)C
InChIKey: QRHPRZPOTQIIMU-UHFFFAOYSA-N
分子式: C22H22O12
平均分子量: 478.4 g/mol
単同位体質量: 478.11112614

名称と識別子

優先名称: Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate
IUPAC: 4,5-bis[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phthalic acid
英語名: bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate
分子式: C22H22O12
分子量: 478.40288

名称と別名

51156-91-3EINECS 257-023-6Bis(2-((2-methyl-1-oxoallyl)oxy)ethyl) dihydrogen benzene-1,2,4,5-tetracarboxylateDTXSID80199183bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylateRefChem:120042DTXCID10121674257-023-64,5-bis[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]phthalic acid4,5-Bis((2-(methacryloyloxy)ethoxy)carbonyl)phthalic acid4,5-bis[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzene-1,2-dicarboxylic acidSCHEMBL7080186

名称をさらに表示

Adhesive Monomer PMDMBis[2-[(2-methyl-1-oxoallyl)oxy]ethyl]dihydrogenbenzol-1,2,4,5-tetracarboxylat

QRHPRZPOTQIIMU-UHFFFAOYSA-NEINECS 257-023-6;DB-241478NS00032222Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl]dihydrogen benzene-1,2,4,5-tetracarboxylate4,5-BIS({2-[(2-METHYLPROP-2-ENOYL)OXY]ETHOXY}CARBONYL)BENZENE-1,2-DICARBOXYLIC ACID

データベース識別子

CAS: 51156-91-3
PubChem CID: 6452354
DTXSID: DTXSID80199183
EC Number: 257-023-6

物性

構造計算による物性

XLogP: 2.4
極性表面積: 180 Å²
水素結合供与体数: 2
水素結合受容体数: 12
回転可能結合数: 16
重原子数: 34
形式電荷: 0
複雑度: 788

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

化学と産業

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