Cas no 80116-46-7 (Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro-)
![Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro- structure](https://ossimg.kuujia.com/scimg/80500/80116-46-7x500.png)
80116-46-7 structure
Product Name:Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro-
CAS No:80116-46-7
MF:C24H25NO5
MW:407.459007024765
CID:706290
PubChem ID:15574246
Update Time:2025-04-19
Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro-
- 4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-nitrophenyl]methyl]-2,6-dimethylphenol
- 80116-46-7
- DTXSID90574649
- 4,4'-[(2-Hydroxy-5-nitro-1,3-phenylene)bis(methylene)]bis(2,6-dimethylphenol)
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- Inchi： 1S/C24H25NO5/c1-13-5-17(6-14(2)22(13)26)9-19-11-21(25(29)30)12-20(24(19)28)10-18-7-15(3)23(27)16(4)8-18/h5-8,11-12,26-28H,9-10H2,1-4H3
- InChI Key： PCVUOCXHDUDGKI-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1CC1C=C(C)C(=C(C)C=1)O)[N+](=O)[O-])CC1C=C(C)C(=C(C)C=1)O
Computed Properties
- Exact Mass: 407.17327290g/mol
- Monoisotopic Mass: 407.17327290g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 514
- 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
- XLogP3: 6
- Topological Polar Surface Area: 107?2
Phenol, 2,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-nitro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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