2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one 2-(羟甲基)-5-甲氧基-4H-吡喃-4-酮

CAS 6269-25-6 MFCD00224874

化学结构图

6269-25-6
SMILES: COc1coc(CO)cc1=O

化学属性

Mol. FormulaC7H8O4
Mol. Weight156.14
Melting Point165-167 °C
Boiling Point381.3±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one
CAS Number6269-25-6
Alfabeta NameHYDROXYMETHYLMETHOXYPYRANONE H2544()-------
MDL NumberMFCD00224874
Chemical Name Translation2-(羟甲基)-5-甲氧基-4H-吡喃-4-酮
LabNetwork Molecule IDLN00005360
PubChem Substance ID234556
InChIInChI=1S/C7H8O4/c1-10-7-4-11-5(3-8)2-6(7)9/h2,4,8H,3H2,1H3
Synonym 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Hydroxymethyl)-5-methoxy-4H-pyr
Canonical SMILESCOC1=COC(=CC1=O)CO
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分类

  • {KO} Ketones
  • {KO} Alcohols

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
LogP
-2

系列性分类

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