Cas no 175796-29-9 (2H-Pyrrol-2-one,1-acetyl-5-(acetyloxy)-1,5-dihydro-)
175796-29-9 structure
Product Name:2H-Pyrrol-2-one,1-acetyl-5-(acetyloxy)-1,5-dihydro-
CAS No:175796-29-9
MF:C8H9NO4
MW:183.161362409592
CID:112153
PubChem ID:10932080
Update Time:2025-04-18
2H-Pyrrol-2-one,1-acetyl-5-(acetyloxy)-1,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrol-2-one,1-acetyl-5-(acetyloxy)-1,5-dihydro-
- 1-acetyl-5-acetoxy-3-pyrrolin-2-one
- 2H-Pyrrol-2-one, 1-acetyl-5-(acetyloxy)-1,5-dihydro-
- 1-Acetyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl acetate
- 175796-29-9
- (1-acetyl-5-oxo-2H-pyrrol-2-yl) Acetate
-
- Inchi： 1S/C8H9NO4/c1-5(10)9-7(12)3-4-8(9)13-6(2)11/h3-4,8H,1-2H3
- InChI Key： IOYQGMFWPBBRBZ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(N1C(C)=O)=O
Computed Properties
- Exact Mass: 183.05317
- Monoisotopic Mass: 183.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 63.7?2
Experimental Properties
- PSA: 63.68
2H-Pyrrol-2-one,1-acetyl-5-(acetyloxy)-1,5-dihydro- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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