489-50-9
中文名稱
反丁烯原冰島衣酸酯
英文名稱
FUMARPROTOCETRARIC ACID
CAS
489-50-9
分子式
C22H16O12
分子量
472.36
MOL 文件
489-50-9.mol
489-50-9 結(jié)構(gòu)式
基本信息
中文別名
反丁烯原冰島衣酸酯 英文別名
FUMARPROTOCETRARIC ACIDFumarylprotocetraric acid
FUMARPROTOCETRARIC ACID(RG)
[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] hydrogen fumarate
9-(3-Carboxy-acryloyloximethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-7-carboxylic acid
But-2-enedioic acid mono-(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-9-ylmethyl) ester
2-Butenedioic acid, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepin-9-yl)methyl] ester, (2E)-
9-({[(2E)-3-Carboxyprop-2-enoyl]oxy}methyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[B,E][1,4]dioxepine-7-carboxylic acid
(E)-2-Butenedioic acid hydrogen 1-[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester
4-Formyl-3,8-dihydroxy-9-[[[(E)-4-hydroxy-1,4-dioxo-2-butenyl]oxy]methyl]-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
所屬類別
有機原料：羧酸類化合物及衍生物物理化學(xué)性質(zhì)
熔點250～260℃
沸點805.7±65.0 °C(Predicted)
密度1.628±0.06 g/cm3(Predicted)
儲存條件-20°C
酸度系數(shù)(pKa)2.12±0.20(Predicted)
形態(tài)solid
InChIKeyVEGGRTFDFMUBPD-ONEGZZNKSA-N
SMILESO1c2c(c(c(c(c2C)C(=O)O)O)COC(=O)\C=C\C(=O)O)OC(=O)c3c1c(c(cc3C)O)C=O
LogP4.693 (est)
