Cas no 821005-21-4 (2-Thiophenecarboxylic acid, 3-propoxy-)
821005-21-4 structure
Product Name:2-Thiophenecarboxylic acid, 3-propoxy-
CAS No:821005-21-4
MF:C8H10O3S
MW:186.228201389313
CID:698186
PubChem ID:59679235
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 3-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3-propoxy-
- 3-propoxythiophene-2-carboxylic acid
- AKOS012642535
- 821005-21-4
- DTXSID30732645
- SCHEMBL4831596
-
- Inchi： 1S/C8H10O3S/c1-2-4-11-6-3-5-12-7(6)8(9)10/h3,5H,2,4H2,1H3,(H,9,10)
- InChI Key： NOCGTFKCRFTUQN-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1C(=O)O)OCCC
Computed Properties
- Exact Mass: 186.03506535g/mol
- Monoisotopic Mass: 186.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 2.3
- Topological Polar Surface Area: 74.8?2
2-Thiophenecarboxylic acid, 3-propoxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
821005-21-4 (2-Thiophenecarboxylic acid, 3-propoxy-) Related Products
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