Cas no 767-81-7 (1,2,4-Benzenetriol,6-methyl-)
1,2,4-Benzenetriol,6-methyl- structure
Product Name:1,2,4-Benzenetriol,6-methyl-
1,2,4-Benzenetriol,6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetriol,6-methyl-
- 6-methyl-1,2,4-benzenetriol
- 6-methylbenzene-1,2,4-triol
- DTXSID50227503
- 1,2,4-Benzenetriol, 6-methyl-
- SCHEMBL67576
- C03338
- Q27102255
- 767-81-7
- 2,3,5-TRIHYDROXYTOLUENE
- CHEBI:17185
- CHEMBL4102748
-
- Inchi： 1S/C7H8O3/c1-4-2-5(8)3-6(9)7(4)10/h2-3,8-10H,1H3
- InChI Key： GIGNQZIJYUEWTI-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C)O)O
Computed Properties
- Exact Mass: 140.047
- Monoisotopic Mass: 140.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 115
- 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: 0.3
- Topological Polar Surface Area: 60.7A^2
Experimental Properties
- Density: 1.387
- Boiling Point: 313.1°C at 760 mmHg
- Flash Point: 160.6°C
- Refractive Index: 1.647
1,2,4-Benzenetriol,6-methyl- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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