Cas no 229343-07-1 (2-Thiophenecarboxylicacid, 3-methyl-4-nitro-)
229343-07-1 structure
Product Name:2-Thiophenecarboxylicacid, 3-methyl-4-nitro-
CAS No:229343-07-1
MF:C6H5NO4S
MW:187.173200368881
CID:245210
PubChem ID:18376747
Update Time:2025-04-19
2-Thiophenecarboxylicacid, 3-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 3-methyl-4-nitro-
- 3-methyl-4-nitrothiophene-2-carboxylic acid
- 2-Thiophenecarboxylicacid,3-methyl-4-nitro-(9CI)
- AG-E-66282
- AGN-PC-01V775
- CTK1A0305
- KB-176605
- SureCN6593908
- DTXSID80593263
- 229343-07-1
- SCHEMBL6593908
-
- Inchi： 1S/C6H5NO4S/c1-3-4(7(10)11)2-12-5(3)6(8)9/h2H,1H3,(H,8,9)
- InChI Key： UFLMQUYCTZBYQV-UHFFFAOYSA-N
- SMILES： S1C=C(C(C)=C1C(=O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 186.99395
- Monoisotopic Mass: 186.99392881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 1.7
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 80.44
2-Thiophenecarboxylicacid, 3-methyl-4-nitro- Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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