Cas no 100200-99-5 (2-METHOXY-4-NITROPHENOL, POTASSIUM SALT HYDRATE)
100200-99-5 structure
Product Name:2-METHOXY-4-NITROPHENOL, POTASSIUM SALT HYDRATE
CAS No:100200-99-5
MF:C7H8KNO5
MW:225.240423202515
CID:1124972
Update Time:2023-04-06
2-METHOXY-4-NITROPHENOL, POTASSIUM SALT HYDRATE Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2-methoxy-4-nitro-, potassium salt
- 4-NITROGUAIACOL, POTASSIUM SALT HYDRATE
- 2-METHOXY-4-NITROPHENOL, POTASSIUM SALT HYDRATE
- TIMTEC-BB SBB005407
- potassium 2-methoxy-4-nitrophenolate monohydrate
-
- Inchi： 1S/C7H7NO4.K.H2O/c1-12-7-4-5(8(10)11)2-3-6(7)9;;/h2-4,9H,1H3;;1H2/q;+1;/p-1
- InChI Key： QRUUWTYJYZUMTO-UHFFFAOYSA-M
- SMILES： C1(OC)C([O-])=CC=C([N+]([O-])=O)C=1.O.[K+]
Computed Properties
- Exact Mass: 208.001
- Monoisotopic Mass: 208.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.3A^2
Experimental Properties
- PSA: 78.11000
- LogP: 2.27040
2-METHOXY-4-NITROPHENOL, POTASSIUM SALT HYDRATE Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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