Cas no 89499-48-9 (2-Thiophenecarboxylic acid, 4-nitro-5-propyl-)
89499-48-9 structure
Product Name:2-Thiophenecarboxylic acid, 4-nitro-5-propyl-
CAS No:89499-48-9
MF:C8H9NO4S
MW:215.226361036301
CID:598732
PubChem ID:13205561
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-nitro-5-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-nitro-5-propyl-
- 4-nitro-5-propylthiophene-2-carboxylic acid
- 89499-48-9
- 4-nitro-5-propyl-2-thiophenecarboxylic acid
- DTXSID00527606
-
- Inchi： 1S/C8H9NO4S/c1-2-3-6-5(9(12)13)4-7(14-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
- InChI Key： URYPLWGQDNPQOK-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(=C1CCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 215.02522894g/mol
- Monoisotopic Mass: 215.02522894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- 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: 2.5
- Topological Polar Surface Area: 111?2
2-Thiophenecarboxylic acid, 4-nitro-5-propyl- Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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