Cas no 54951-55-2 (1-(4-nitrophenyl)pent-1-en-3-one)
54951-55-2 structure
Product Name:1-(4-nitrophenyl)pent-1-en-3-one
CAS No:54951-55-2
MF:C11H11NO3
MW:205.209943056107
CID:943112
PubChem ID:5838015
Update Time:2025-04-19
1-(4-nitrophenyl)pent-1-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-nitrophenyl)pent-1-en-3-one
- 1,6-Heptadiene-3,5-dione, 1-(3-methoxy-4-hydroxyphenyl)-7-phenyl-; 1t-(4-nitro-phenyl)-pent-1-en-3-one; AGN-PC-000QOD; 1t-(4-Nitro-phenyl)-pent-1-en-3-on; 1t-(4-Hydroxy-3-methoxy-phenyl)-7t-phenyl-hepta-1,6-dien-3,5-dion; CTK0B8373; 1t-(4-hydroxy-3-methoxy-phenyl)-7t-phenyl-hepta-1,6-diene-3,5-dione; ACMC-20mxhh; (E)-1-(p-Nitrophenyl)-1-penten-3-on; (E)-1-(4-nitrophenyl)pent-1-en-3-one;
- 54951-55-2
- NSC-152772
- NSC152772
- (E)-1-(4-nitrophenyl)pent-1-en-3-one
-
- Inchi： 1S/C11H11NO3/c1-2-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
- InChI Key： UXKOHIVGWGOZBF-VMPITWQZSA-N
- SMILES： O=C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])CC
Computed Properties
- Exact Mass: 205.07393
- Monoisotopic Mass: 205.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.9A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.19
- Boiling Point: 335.1°C at 760 mmHg
- Flash Point: 155.4°C
- Refractive Index: 1.587
- PSA: 60.21
- LogP: 3.11030
1-(4-nitrophenyl)pent-1-en-3-one Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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