Methyl 2-hydroxy-5-methoxy-3-nitrobenzenecarboxylate 2-羟基-3-硝基-5-甲氧基苯甲酸甲酯

CAS 2888-09-7 MFCD16140302

化学结构图

2888-09-7
SMILES: COC(=O)c1cc(OC)cc([N+](=O)[O-])c1O

化学属性

Mol. Weight227.17
Mol. FormulaC9H9NO6
Melting Point139-141°

别名和识别编码

Chemical NameMethyl 2-hydroxy-5-methoxy-3-nitrobenzenecarboxylate
CAS Number2888-09-7
Alfabeta NameMETHYLHYDROXYMETHOXYNITROBENZENECARBOXYLATE 253-----
MDL NumberMFCD16140302
Chemical Name Translation2-羟基-3-硝基-5-甲氧基苯甲酸甲酯
LabNetwork Molecule IDLN00158068
PubChem Substance ID49757519
InChIInChI=1S/C9H9NO6/c1-15-5-3-6(9(12)16-2)8(11)7(4-5)10(13)14/h3-4,11H,1-2H3
Synonym Methyl 3-nitro-5-methylgentisate {LY} Methyl 3-nitro-5-methylgentisate {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-nitro-5-methylgentisate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-
Canonical SMILESO=C(OC)C1=CC(OC)=CC([N+]([O-])=O)=C1O
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分类

  • {KO} Nitros
  • {KO} ArylOHs
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
3
H-bond Donors
1
LogP
1

系列性分类

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