Cas no 921206-23-7 (1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)-)
921206-23-7 structure
Product Name:1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)-
CAS No:921206-23-7
MF:C12H13NO3
MW:219.236523389816
CID:745315
PubChem ID:71422371
Update Time:2025-04-19
1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)-
- 1-(4-nitrophenyl)hex-1-en-3-one
- 921206-23-7
- DTXSID00841399
-
- Inchi： 1S/C12H13NO3/c1-2-3-12(14)9-6-10-4-7-11(8-5-10)13(15)16/h4-9H,2-3H2,1H3
- InChI Key： PFNFAFFIMARDSY-UHFFFAOYSA-N
- SMILES： O=C(C=CC1C=CC(=CC=1)[N+](=O)[O-])CCC
Computed Properties
- Exact Mass: 219.08954328g/mol
- Monoisotopic Mass: 219.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 273
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.7
- Topological Polar Surface Area: 62.9?2
1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
921206-23-7 (1-Hexen-3-one, 1-(4-nitrophenyl)-, (1E)-) Related Products
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