159768-89-5
中文名稱
1-Butanone, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-
英文名稱
1-Butanone, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-
CAS
159768-89-5
分子式
C13H18O5
分子量
254.28
MOL 文件
159768-89-5.mol
159768-89-5 結(jié)構(gòu)式
基本信息
英文別名
Phomalone >=95% (LC/MS-UV)1-Butanone, 1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]-
物理化學性質(zhì)
沸點450.0±24.0 °C(Predicted)
密度1.239±0.06 g/cm3(Predicted)
儲存條件-20°C
溶解度DMSO: 1mg/mL
酸度系數(shù)(pKa)7.35±0.50(Predicted)
形態(tài)solid
主要應用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C13H18O5/c1-3-4-9(15)12-11(18-2)7-10(16)8(5-6-14)13(12)17/h7,14,16-17H,3-6H2,1-2H3
InChIKeyPTBQWWHUOMDVFS-UHFFFAOYSA-N
SMILESOC1=C(C(O)=CC(OC)=C1C(CCC)=O)CCO