Cas no 386767-18-6 (2,5-Oxazolidinedione,3-acetyl-4-methyl-, (4S)-)
386767-18-6 structure
Product Name:2,5-Oxazolidinedione,3-acetyl-4-methyl-, (4S)-
CAS No:386767-18-6
MF:C6H7NO4
MW:157.124081850052
CID:298691
PubChem ID:45086078
Update Time:2025-04-19
2,5-Oxazolidinedione,3-acetyl-4-methyl-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Oxazolidinedione,3-acetyl-4-methyl-, (4S)-
- 2,5-Oxazolidinedione, 3-acetyl-4-methyl-, (4S)- (9CI)
- 386767-18-6
- (S)-3-Acetyl-4-methyloxazolidine-2,5-dione
- SCHEMBL7017809
- KOKJQPWPRPYFKF-VKHMYHEASA-N
- (S)-3-acetyl-4-methyl-2,5-oxazolidinedione
- 2,5-Oxazolidinedione,3-acetyl-4-methyl-,(4S)-(9ci)
-
- Inchi： 1S/C6H7NO4/c1-3-5(9)11-6(10)7(3)4(2)8/h3H,1-2H3/t3-/m0/s1
- InChI Key： KOKJQPWPRPYFKF-VKHMYHEASA-N
- SMILES： O1C(N(C(C)=O)[C@H](C1=O)C)=O
Computed Properties
- Exact Mass: 157.03751
- Monoisotopic Mass: 157.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 235
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.7A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 63.68
2,5-Oxazolidinedione,3-acetyl-4-methyl-, (4S)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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