Cas no 20288-94-2 (1,3,5-Benzenetrimethanol, 2-hydroxy-4-methyl-)
20288-94-2 structure
Product Name:1,3,5-Benzenetrimethanol, 2-hydroxy-4-methyl-
CAS No:20288-94-2
MF:C10H14O4
MW:198.215763568878
CID:1392797
PubChem ID:13816383
Update Time:2025-04-20
1,3,5-Benzenetrimethanol, 2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetrimethanol, 2-hydroxy-4-methyl-
- 2,4,6-tris(hydroxymethyl)-3-methylphenol
- 20288-94-2
- DTXSID60550435
-
- Inchi： 1S/C10H14O4/c1-6-7(3-11)2-8(4-12)10(14)9(6)5-13/h2,11-14H,3-5H2,1H3
- InChI Key： SCLQBTCHJYVSLZ-UHFFFAOYSA-N
- SMILES： OC1=C(CO)C=C(CO)C(C)=C1CO
Computed Properties
- Exact Mass: 198.08922
- Monoisotopic Mass: 198.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 174
- 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: -0.2
- Topological Polar Surface Area: 80.9?2
Experimental Properties
- PSA: 80.92
1,3,5-Benzenetrimethanol, 2-hydroxy-4-methyl- Related Literature
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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