Cas no 832090-46-7 (Pentanoic acid, 2-(1-methoxyethylidene)-3-oxo-, methyl ester)
832090-46-7 structure
Product Name:Pentanoic acid, 2-(1-methoxyethylidene)-3-oxo-, methyl ester
CAS No:832090-46-7
MF:C9H14O4
MW:186.205063343048
CID:676679
PubChem ID:71416100
Update Time:2025-04-19
Pentanoic acid, 2-(1-methoxyethylidene)-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2-(1-methoxyethylidene)-3-oxo-, methyl ester
- methyl 2-(1-methoxyethylidene)-3-oxopentanoate
- DTXSID10835502
- 832090-46-7
-
- Inchi： 1S/C9H14O4/c1-5-7(10)8(6(2)12-3)9(11)13-4/h5H2,1-4H3
- InChI Key： GABAIVYPXCRDLV-UHFFFAOYSA-N
- SMILES： O(C)C(C)=C(C(=O)OC)C(CC)=O
Computed Properties
- Exact Mass: 186.08920892g/mol
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 52.6?2
Pentanoic acid, 2-(1-methoxyethylidene)-3-oxo-, methyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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