Cas no 918540-63-3 (3-Buten-2-ol, 4-(4-nitrophenyl)-)
918540-63-3 structure
Product Name:3-Buten-2-ol, 4-(4-nitrophenyl)-
CAS No:918540-63-3
MF:C10H11NO3
MW:193.199242830276
CID:773240
PubChem ID:71426806
Update Time:2025-04-19
3-Buten-2-ol, 4-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-ol, 4-(4-nitrophenyl)-
- 4-(4-nitrophenyl)but-3-en-2-ol
- 918540-63-3
- DTXSID40845558
-
- Inchi： 1S/C10H11NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2-8,12H,1H3
- InChI Key： YAHGCECXRUFHBK-UHFFFAOYSA-N
- SMILES： OC(C)C=CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 193.07389321g/mol
- Monoisotopic Mass: 193.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.9
- Topological Polar Surface Area: 66?2
3-Buten-2-ol, 4-(4-nitrophenyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
918540-63-3 (3-Buten-2-ol, 4-(4-nitrophenyl)-) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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