物理描述 Physical Description
Solid
熔点 Melting Point
146.0 °C
碰撞截面 Collision Cross Section
127.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
辛醇/水分配系数 LogP
1.7
重原子数 Heavy atoms count
11
可旋转键数 Rotatable bond count
1
环数 Number of rings
1
sp3杂化的碳原子比例 Carbon bond saturation (Fsp3)
0.125
拓扑面积 Polar surface area (Å)
57.5
氢给体数 Hydrogen bond donors count
2
氢受体数 Hydrogen bond acceptors count
3
Resacetophenone has known human metabolites that include 2,4-Dihydroxyacetophenone 5-sulfate.
危险品标志
Xi
WGK Germany
2
危险品运输编号
NONH for all modes of transport
海关编码
2914391000
RTECS号
AM7525000