Methyl Benzo[D][1,3]Dioxole-5-Carboxylate 1,3-苯并二恶唑-5-羧酸甲酯

CAS 326-56-7 MFCD00030273

化学结构图

326-56-7
SMILES: COC(=O)c1ccc2c(c1)OCO2

化学属性

Mol. FormulaC9H8O4
Mol. Weight180.16
Melting Point50 °C
Boiling Point272.96 °C at 760 mmHg

别名和识别编码

Chemical NameMethyl Benzo[D][1,3]Dioxole-5-Carboxylate
CAS Number326-56-7
Alfabeta NameMETHYLBENZODIOXOLECARBOXYLATE 135---,
MDL NumberMFCD00030273
Chemical Name Translation1,3-苯并二恶唑-5-羧酸甲酯
InChIKeyQCHGUEIECOASJU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147810
PubChem Substance ID67590
InChIInChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
Synonym Methyl benzo[d][1,3]dioxole-5-carboxylate {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl benzo[d][1,3]dioxole-5-carboxylate {} {}
Canonical SMILESO=C(OC)C1=CC=C(OCO2)C2=C1
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分类

  • {KO} Esters

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
0
LogP
1

系列性分类

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