3-(4-(Tert-Butyl)Phenyl)Acrylic Acid 3-(4-(叔丁基)苯基)丙烯酸

CAS 1208-65-7 MFCD00040719

化学结构图

1208-65-7
SMILES: CC(C)(C)c1ccc(/C=C/C(=O)O)cc1

化学属性

Mol. FormulaC13H16O2
Mol. Weight204.26
Melting Point198-200 °C

别名和识别编码

Chemical Name3-(4-(Tert-Butyl)Phenyl)Acrylic Acid
CAS Number1208-65-7
Alfabeta NameBUTYLPHENYLACRYLICACID TERT34[]()---
MDL NumberMFCD00040719
Synonym 3-(4-(Tert-butyl)phenyl)acrylic acid {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-(Tert-butyl)phenyl)acrylic a
Chemical Name Translation3-(4-(叔丁基)苯基)丙烯酸
PubChem Substance ID724839
InChIInChI=1S/C13H16O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H,14,15)/b9-6+
Canonical SMILESO=C(O)/C=C/C1=CC=C(C(C)(C)C)C=C1
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分类

  • Aromatics
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
4
H-bond Donors
1
LogP
3

其他信息

  • Hazard Note:Irritant
  • MOL 文件:1208-65-7.mol

系列性分类

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