Cas no 139398-11-1 (2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)-)
![2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)- structure](https://ossimg.kuujia.com/scimg/139500/139398-11-1x500.png)
139398-11-1 structure
Product Name:2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)-
CAS No:139398-11-1
MF:C12H12O4
MW:220.221283912659
CID:1269311
Update Time:2024-08-03
2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)-
- 2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)- (9CI)
-
- Inchi： 1S/C12H12O4/c1-8-4-2-3-5-9(8)6-10(12(15)16)7-11(13)14/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/b10-7+
- InChI Key： IMFUGXMRJAYQIQ-JXMROGBWSA-N
- SMILES： C(O)(=O)/C(/CC1=CC=CC=C1C)=C/C(O)=O
Computed Properties
- Exact Mass: 220.07356
Experimental Properties
- Density: 1.289±0.06 g/cm3(Predicted)
- Boiling Point: 468.7±45.0 °C(Predicted)
- PSA: 74.6
- pka: 3.39±0.19(Predicted)
2-Butenedioic acid, 2-[(2-methylphenyl)methyl]-, (E)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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