Cas no 1067225-58-4 (2-(2-formyl-6-methylphenoxy)propanoic acid)
1067225-58-4 structure
Product Name:2-(2-formyl-6-methylphenoxy)propanoic acid
CAS No:1067225-58-4
MF:C11H12O4
MW:208.210583686829
CID:2112001
Update Time:2023-11-19
2-(2-formyl-6-methylphenoxy)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-formyl-6-methylphenoxy)Propanoic acid
- CID 87722451
- Propanoic acid, 2-(2-formyl-6-methylphenoxy)-
- 2-(2-formyl-6-methylphenoxy)propanoic acid
-
- Inchi： 1S/C11H12O4/c1-7-4-3-5-9(6-12)10(7)15-8(2)11(13)14/h3-6,8H,1-2H3,(H,13,14)
- InChI Key： NTWYGSOEWFEGJG-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)C)C1C(C=O)=CC=CC=1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 239
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 1.229±0.06 g/cm3(Predicted)
- Boiling Point: 369.0±27.0 °C(Predicted)
- pka: 3.13±0.10(Predicted)
2-(2-formyl-6-methylphenoxy)propanoic acid Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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