Cas no 15139-38-5 (3-Furancarboxylic acid,2,4-dimethyl-5-nitro-)
15139-38-5 structure
Product Name:3-Furancarboxylic acid,2,4-dimethyl-5-nitro-
CAS No:15139-38-5
MF:C7H7NO5
MW:185.134182214737
CID:228371
PubChem ID:298437
Update Time:2025-04-19
3-Furancarboxylic acid,2,4-dimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Furancarboxylic acid,2,4-dimethyl-5-nitro-
- 2,4-dimethyl-5-nitrofuran-3-carboxylic acid
- 2,4-Dimethyl-5-nitrofuran-3-carbonsaeure
- 2,4-Dimethyl-5-nitro-furan-3-carbonsaeure
- 2,4-dimethyl-5-nitro-furan-3-carboxylic acid
- AC1L6T4R
- NSC170570
- 15139-38-5
- DTXSID30305373
- NSC-170570
-
- Inchi： 1S/C7H7NO5/c1-3-5(7(9)10)4(2)13-6(3)8(11)12/h1-2H3,(H,9,10)
- InChI Key： JJZJVXDPNYLFLZ-UHFFFAOYSA-N
- SMILES： O1C(=C(C)C(C(=O)O)=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 185.03241
- Monoisotopic Mass: 185.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 96.3?2
Experimental Properties
- PSA: 93.58
- LogP: 2.02600
3-Furancarboxylic acid,2,4-dimethyl-5-nitro- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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