Cas no 288401-30-9 (1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-)
![1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- structure](https://ossimg.kuujia.com/scimg/288500/288401-30-9x500.png)
288401-30-9 structure
Product Name:1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-
CAS No:288401-30-9
MF:C12H15NO4
MW:237.251803636551
CID:248922
PubChem ID:53422059
Update Time:2025-04-19
1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-
- 1-(2-hydroxy-3-nitro-5-propan-2-ylphenyl)propan-1-one
- 2'-HYDROXY-5'-ISOPROPYL-3'-NITROPROPIOPHENONE
- 1-(2-HYDROXY-5-ISOPROPYL-3-NITROPHENYL)PROPAN-1-ONE
- 1-[2-Hydroxy-3-nitro-5-(propan-2-yl)phenyl]propan-1-one
- 288401-30-9
- DTXSID70697941
-
- Inchi： 1S/C12H15NO4/c1-4-11(14)9-5-8(7(2)3)6-10(12(9)15)13(16)17/h5-7,15H,4H2,1-3H3
- InChI Key： NRRFFQMVCJGGJY-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C(CC)=O)C(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 237.10000
- Monoisotopic Mass: 237.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.1A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 83.12000
- LogP: 3.53970
1-Propanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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