Cas no 499973-16-9 (Methanone, (4-nitrophenyl)(2,4,6-trihydroxyphenyl)-)
499973-16-9 structure
Product Name:Methanone, (4-nitrophenyl)(2,4,6-trihydroxyphenyl)-
CAS No:499973-16-9
MF:C13H9NO6
MW:275.213663816452
CID:1543295
PubChem ID:71362376
Update Time:2025-04-21
Methanone, (4-nitrophenyl)(2,4,6-trihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (4-nitrophenyl)(2,4,6-trihydroxyphenyl)-
- (4-nitrophenyl)-(2,4,6-trihydroxyphenyl)methanone
- 499973-16-9
- DTXSID70786006
- (4-Nitrophenyl)(2,4,6-trihydroxyphenyl)methanone
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- Inchi： 1S/C13H9NO6/c15-9-5-10(16)12(11(17)6-9)13(18)7-1-3-8(4-2-7)14(19)20/h1-6,15-17H
- InChI Key： WAPRCJWSYNWLIW-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1C(C1C=CC(=CC=1)[N+](=O)[O-])=O)O)O
Computed Properties
- Exact Mass: 275.04297
- Monoisotopic Mass: 275.04298701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 362
- 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: 2.6
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 120.9
Methanone, (4-nitrophenyl)(2,4,6-trihydroxyphenyl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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