2-Hydroxy-3-methoxybenzonitrile 2-羟基-3-甲氧基苯腈

CAS 6812-16-4 MFCD02261936

化学结构图

6812-16-4
SMILES: COc1cccc(C#N)c1O

化学属性

Mol. FormulaC8H7NO2
Mol. Weight149.15

别名和识别编码

Chemical Name2-Hydroxy-3-methoxybenzonitrile
CAS Number6812-16-4
Alfabeta NameHYDROXYMETHOXYBENZENECARBONITRILE 23---
MDL NumberMFCD02261936
Chemical Name Translation2-羟基-3-甲氧基苯腈
LabNetwork Molecule IDLN00149237
PubChem Substance ID12507071
InChIInChI=1S/C8H7NO2/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,10H,1H3
Synonym 2-Hydroxy-3-methoxybenzonitrile {LY} 2-Hydroxy-3-methoxybenzonitrile {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-3-methoxybenzon
Canonical SMILESN#CC1=CC=CC(OC)=C1O
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分类

  • {KO} Nitriles
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

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

系列性分类

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