Cas no 71787-52-5 (1-(3-Nitrophenyl)-but-3-en-1-ol)
71787-52-5 structure
Product Name:1-(3-Nitrophenyl)-but-3-en-1-ol
CAS No:71787-52-5
MF:C10H11NO3
MW:193.199242830276
CID:545069
Update Time:2023-08-03
1-(3-Nitrophenyl)-but-3-en-1-ol Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-nitro-a-2-propenyl-
- 1-(3-nitrophenyl)-but-3-en-1-ol
- 1-(3-nitrophenyl)but-3-en-1-ol
- 3-Nitro-alpha-allylbenzyl alcohol
- JZWXJOKYHHHXBB-UHFFFAOYSA-N
- 1-(3-Nitrophenyl)-3-buten-1-ol
- PK04_181023
- 1-(3-Nitrophenyl)-but-3-en-1-ol
-
- Inchi： 1S/C10H11NO3/c1-2-4-10(12)8-5-3-6-9(7-8)11(13)14/h2-3,5-7,10,12H,1,4H2
- InChI Key： JZWXJOKYHHHXBB-UHFFFAOYSA-N
- SMILES： OC(CC=C)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 212
- XLogP3: 2.3
- Topological Polar Surface Area: 66
1-(3-Nitrophenyl)-but-3-en-1-ol Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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