Cas no 21405-59-4 (Propanedioic acid, [(4-methylphenyl)methylene]-)
21405-59-4 structure
Product Name:Propanedioic acid, [(4-methylphenyl)methylene]-
CAS No:21405-59-4
MF:C11H10O4
MW:206.194703578949
CID:1404826
Update Time:2024-08-16
Propanedioic acid, [(4-methylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
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- Propanedioic acid, [(4-methylphenyl)methylene]-
- 3-(4-methylphenyl)-2-carboxy-2-propenoic acid
- (4-Methyl-benzyliden)-malonsaeure
- (4-methyl-benzylidene)-malonic acid
- 2-(4-Methylbenzylidene)malonic acid
- Propanedioic acid, 2-[(4-methylphenyl)methylene]-
-
- Inchi: 1S/C11H10O4/c1-7-2-4-8(5-3-7)6-9(10(12)13)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
- InChI Key: DTESVSJGQRBZEK-UHFFFAOYSA-N
- SMILES: C(O)(=O)/C(=C\C1=CC=C(C)C=C1)/C(O)=O
Computed Properties
- Exact Mass: 206.05800
Experimental Properties
- Density: 1.354±0.06 g/cm3(Predicted)
- Melting Point: 219-220 °C
- Boiling Point: 395.6±30.0 °C(Predicted)
- PSA: 74.60000
- LogP: 1.54760
- pka: 2.01±0.10(Predicted)
Propanedioic acid, [(4-methylphenyl)methylene]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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