Cas no 25125-05-7 (1H-Indene-1,3(2H)-dione, 2-acetyl-5-nitro-)
25125-05-7 structure
Product Name:1H-Indene-1,3(2H)-dione, 2-acetyl-5-nitro-
CAS No:25125-05-7
MF:C11H7NO5
MW:233.176983118057
CID:1424439
PubChem ID:12499855
Update Time:2025-04-20
1H-Indene-1,3(2H)-dione, 2-acetyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1,3(2H)-dione, 2-acetyl-5-nitro-
- 2-Acetyl-5-nitro-1H-indene-1,3(2H)-dione
- DTXSID701275108
- 25125-05-7
- 2-Acetyl-5-nitroindan-1,3-dione
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- Inchi： 1S/C11H7NO5/c1-5(13)9-10(14)7-3-2-6(12(16)17)4-8(7)11(9)15/h2-4,9H,1H3
- InChI Key： ZRFPGAVGDYLWET-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C=CC=2C(C1C(C)=O)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 233.03241
- Monoisotopic Mass: 233.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 411
- 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: 1.2
- Topological Polar Surface Area: 97?2
Experimental Properties
- PSA: 94.35
1H-Indene-1,3(2H)-dione, 2-acetyl-5-nitro- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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