4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-benzenecarboxylic acid

CAS N/A MFCD09152731

化学结构图

N/A
SMILES: OC(=O)C1C=CC(=CC=1)C1=CC2OCCCOC=2C=C1

化学属性

Mol. FormulaC16H14O4
Mol. Weight270.28
Melting Point217-220°

别名和识别编码

Chemical Name4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzenecarboxylic acid
Alfabeta NameDIHYDROBENZODIOXEPINYLBENZENECARBOXYLICACID H4342157()--------,,
MDL NumberMFCD09152731
Synonym 4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzenecarboxylic acid
PubChem Substance ID329789849
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分类

  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C16 to C21, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒

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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C16 to C21 - Ethers

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