Cas no 27921-50-2 (2-Thiophenecarboxylicacid, 3-(phenylmethyl)-)
27921-50-2 structure
Product Name:2-Thiophenecarboxylicacid, 3-(phenylmethyl)-
CAS No:27921-50-2
MF:C12H10O2S
MW:218.271602153778
CID:274806
PubChem ID:288511
Update Time:2025-04-19
2-Thiophenecarboxylicacid, 3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 3-(phenylmethyl)-
- 3-benzylthiophene-2-carboxylic acid
- 3-Benzylthiophen-2-carbonsaeure
- 3-benzyl-thiophene-2-carboxylic acid
- AC1L69PY
- AC1Q5UIX
- AG-J-23503
- AR-1F2138
- CTK1A5303
- NSC149725
- 27921-50-2
- SCHEMBL15877228
- NSC-149725
- DTXSID00302218
-
- Inchi： 1S/C12H10O2S/c13-12(14)11-10(6-7-15-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
- InChI Key： UGIIACGASYCKOR-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C(=O)O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 218.0402
- Monoisotopic Mass: 218.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 224
- 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: 3.4
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- Density: 1.277
- Boiling Point: 372.3°Cat760mmHg
- Flash Point: 178.9°C
- Refractive Index: 1.631
- PSA: 37.3
- LogP: 3.03710
2-Thiophenecarboxylicacid, 3-(phenylmethyl)- Related Literature
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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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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