Cas no 159346-72-2 (2-Oxiranecarboxylicacid, 3-propyl-)
159346-72-2 structure
Product Name:2-Oxiranecarboxylicacid, 3-propyl-
CAS No:159346-72-2
MF:C6H10O3
MW:130.141802310944
CID:109191
PubChem ID:13440533
Update Time:2025-04-18
2-Oxiranecarboxylicacid, 3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxiranecarboxylicacid, 3-propyl-
- 3-propyl-2-Oxiranecarboxylic acid
- Oxiranecarboxylic acid, 3-propyl- (9CI)
- FT-0758273
- AKOS006379774
- 3-Propyloxirane-2-carboxylic acid
- 159346-72-2
- SCHEMBL329016
- SCHEMBL19569812
- ZUXGVGARWYYZKY-UHFFFAOYSA-N
-
- Inchi： 1S/C6H10O3/c1-2-3-4-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
- InChI Key： ZUXGVGARWYYZKY-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)C1CCC
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.83
2-Oxiranecarboxylicacid, 3-propyl- 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
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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
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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