Cas no 746650-65-7 (Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo-)
![Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo- structure](https://ossimg.kuujia.com/scimg/747000/746650-65-7x500.png)
746650-65-7 structure
Product Name:Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo-
CAS No:746650-65-7
MF:C12H12O3
MW:204.221883773804
CID:1769238
Update Time:2024-11-27
Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo- Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo-
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- Inchi： 1S/C12H12O3/c1-8-3-5-10(6-4-8)7-11(9(2)13)12(14)15/h3-7H,1-2H3,(H,14,15)
- InChI Key： YUEDOYDCWSUMLT-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(=CC1=CC=C(C)C=C1)C(=O)C
Computed Properties
- Exact Mass: 204.07866
Experimental Properties
- Density: 1.192±0.06 g/cm3(Predicted)
- Boiling Point: 386.9±30.0 °C(Predicted)
- PSA: 54.37
- pka: 2.07±0.10(Predicted)
Butanoic acid, 2-[(4-methylphenyl)methylene]-3-oxo- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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