Cas no 919079-85-9 (1,4-Pentadien-3-one, 2-methyl-1,5-bis(4-nitrophenyl)-)
919079-85-9 structure
Product Name:1,4-Pentadien-3-one, 2-methyl-1,5-bis(4-nitrophenyl)-
CAS No:919079-85-9
MF:C18H14N2O5
MW:338.314164638519
CID:767054
PubChem ID:71425810
Update Time:2025-04-19
1,4-Pentadien-3-one, 2-methyl-1,5-bis(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Pentadien-3-one, 2-methyl-1,5-bis(4-nitrophenyl)-
- 2-methyl-1,5-bis(4-nitrophenyl)penta-1,4-dien-3-one
- 919079-85-9
- DTXSID20844589
-
- Inchi： 1S/C18H14N2O5/c1-13(12-15-4-9-17(10-5-15)20(24)25)18(21)11-6-14-2-7-16(8-3-14)19(22)23/h2-12H,1H3
- InChI Key： NEWQRAXHTXEPDK-UHFFFAOYSA-N
- SMILES： O=C(C=CC1C=CC(=CC=1)[N+](=O)[O-])C(C)=CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 338.09027155g/mol
- Monoisotopic Mass: 338.09027155g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 557
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.1
- Topological Polar Surface Area: 109?2
1,4-Pentadien-3-one, 2-methyl-1,5-bis(4-nitrophenyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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