Cas no 59919-77-6 (Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro-)
![Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro- structure](https://ossimg.kuujia.com/scimg/60000/59919-77-6x500.png)
59919-77-6 structure
Product Name:Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro-
CAS No:59919-77-6
MF:C14H12N2O6
MW:304.254883766174
CID:336855
PubChem ID:71442627
Update Time:2025-04-19
Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro-
- 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitrophenol
- DTXSID40851492
- 59919-77-6
-
- Inchi： 1S/C14H12N2O6/c1-8-4-10(7-12(14(8)18)16(21)22)5-9-2-3-13(17)11(6-9)15(19)20/h2-4,6-7,17-18H,5H2,1H3
- InChI Key： LBIXPOBGWOADMH-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C)CC1C=CC(=C(C=1)[N+](=O)[O-])O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 304.06956
- Monoisotopic Mass: 304.06953611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 421
- 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: 4.3
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 126.74
Phenol, 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-nitro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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