Cas no 89942-78-9 ( )
structure
Product Name:
CAS No:89942-78-9
MF:C8H7NO5
MW:197.144882440567
CID:994447
PubChem ID:343371
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- 89942-78-9
- NSC 382792
- NSC-382792
- DTXSID80321881
- NSC382792
- 5-hydroxy-2-methylpyridine-3,4-dicarboxylic acid
- 5-hydroxy-2-methyl-pyridine-3,4-dicarboxylic acid
- DS-005728
-
-
- Inchi： 1S/C8H7NO5/c1-3-5(7(11)12)6(8(13)14)4(10)2-9-3/h2,10H,1H3,(H,11,12)(H,13,14)
- InChI Key： DOQJPOZAYXTGKA-UHFFFAOYSA-N
- SMILES： OC1=CN=C(C)C(C(=O)O)=C1C(=O)O
Computed Properties
- Exact Mass: 197.032
- Monoisotopic Mass: 197.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 0.5
- Topological Polar Surface Area: 108?2
Experimental Properties
- Density: 1.61
- Boiling Point: 634.7°C at 760 mmHg
- Flash Point: 337.7°C
- Refractive Index: 1.654
Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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3. 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
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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