Cas no 174261-09-7 (Benzoic acid, 5-cyano-2,4-dimethoxy-)
174261-09-7 structure
Product Name:Benzoic acid, 5-cyano-2,4-dimethoxy-
CAS No:174261-09-7
MF:C10H9NO4
MW:207.182762861252
CID:1359422
Update Time:2024-08-17
Benzoic acid, 5-cyano-2,4-dimethoxy- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 5-cyano-2,4-dimethoxy-
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- Inchi： 1S/C10H9NO4/c1-14-8-4-9(15-2)7(10(12)13)3-6(8)5-11/h3-4H,1-2H3,(H,12,13)
- InChI Key： XBCDJGGXTRLARG-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC(C#N)=C(OC)C=C1OC
Computed Properties
- Exact Mass: 207.05317
Experimental Properties
- Density: 1.33±0.1 g/cm3(Predicted)
- Boiling Point: 407.5±45.0 °C(Predicted)
- PSA: 79.55
- pka: 3.80±0.10(Predicted)
Benzoic acid, 5-cyano-2,4-dimethoxy- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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