Cas no 71847-90-0 ( )
structure
Product Name:
CAS No:71847-90-0
MF:C7H7NO3
MW:153.135381937027
CID:976767
PubChem ID:323281
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (6-oxo-1H-pyridin-3-yl) acetate
- 5-(Acetyloxy)-2(1H)-pyridinone
- 2(1H)-Pyridinone, 5-(acetyloxy)-
- 5-acetoxy-1H-pyridin-2-one
- 5-Acetoxy-2(1H)-pyridon
- 5-acetoxy-2-pyridone
- AC1L88A9
- NSC282186
- 5-Acetyloxy-2(1H)-pyridinone
- DTXSID20314378
- 71847-90-0
- FT-0759930
- RGS98YJD6G
- NSC-282186
- DB-083416
-
-
- Inchi： 1S/C7H7NO3/c1-5(9)11-6-2-3-7(10)8-4-6/h2-4H,1H3,(H,8,10)
- InChI Key： JLGWWEQRFGMMHK-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(NC=1)=O
Computed Properties
- Exact Mass: 153.04261
- Monoisotopic Mass: 153.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 252
- 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: -0.3
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
4. 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
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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