Cas no 29067-54-7 (1-(3-Nitrophenyl)butan-1-OL)
1-(3-Nitrophenyl)butan-1-OL structure
Product Name:1-(3-Nitrophenyl)butan-1-OL
CAS No:29067-54-7
MF:C10H13NO3
MW:195.215122938156
CID:2928306
Update Time:2023-08-10
1-(3-Nitrophenyl)butan-1-OL Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-NITROPHENYL)BUTAN-1-OL
- Benzenemethanol, 3-nitro-alpha-propyl-
- 1-(3-Nitrophenyl)butan-1-OL
-
- Inchi： 1S/C10H13NO3/c1-2-4-10(12)8-5-3-6-9(7-8)11(13)14/h3,5-7,10,12H,2,4H2,1H3
- InChI Key： KAQAPRWXYWRRMT-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C(C=1)[N+](=O)[O-])CCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 190
- XLogP3: 2.5
- Topological Polar Surface Area: 66
1-(3-Nitrophenyl)butan-1-OL Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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