Cas no 597565-50-9 (4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid)
597565-50-9 structure
Product Name:4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid
CAS No:597565-50-9
MF:C13H10O4S
MW:262.281102657318
MDL:MFCD06661175
CID:950636
PubChem ID:5098425
Update Time:2025-04-19
4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid
- 4-(5-methoxycarbonylthiophen-2-yl)benzoic acid
- 5-(4-carboxyphenyl)-2-thiophenecarboxylic acid
- DTXSID00408289
- DB-305072
- 597565-50-9
-
- MDL： MFCD06661175
- Inchi： 1S/C13H10O4S/c1-17-13(16)11-7-6-10(18-11)8-2-4-9(5-3-8)12(14)15/h2-7H,1H3,(H,14,15)
- InChI Key： CSIYURZHOBARCQ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CC=C1C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 262.03000
- Monoisotopic Mass: 262.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 323
- 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: 3
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 91.84000
- LogP: 2.89990
4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB386923-5g |
5-(4-Carboxy-phenyl)-thiophene-2-carboxylic acid, 95%; . |
597565-50-9 | 95% | 5g |
€1408.60 | 2025-04-17 | |
| A2B Chem LLC | AG76942-1g |
4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid |
597565-50-9 | 1g |
$457.00 | 2023-12-30 | ||
| A2B Chem LLC | AG76942-5g |
4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid |
597565-50-9 | 5g |
$1210.00 | 2023-12-30 | ||
| abcr | AB386923-1 g |
5-(4-Carboxy-phenyl)-thiophene-2-carboxylic acid; 95% |
597565-50-9 | 1g |
€452.00 | 2023-04-25 | ||
| abcr | AB386923-1g |
5-(4-Carboxy-phenyl)-thiophene-2-carboxylic acid, 95%; . |
597565-50-9 | 95% | 1g |
€452.00 | 2025-04-17 |
4-(5-(Methoxycarbonyl)thiophen-2-yl)benzoic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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