Cas no 81632-45-3 (1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester)
81632-45-3 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester
CAS No:81632-45-3
MF:C12H12O7
MW:268.219484329224
CID:703615
PubChem ID:71420925
Update Time:2025-04-19
1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester
- trimethyl 6-hydroxybenzene-1,2,4-tricarboxylate
- DTXSID00840100
- 81632-45-3
-
- Inchi： 1S/C12H12O7/c1-17-10(14)6-4-7(11(15)18-2)9(8(13)5-6)12(16)19-3/h4-5,13H,1-3H3
- InChI Key： DJFAHXNZLJTDOA-UHFFFAOYSA-N
- SMILES： OC1=CC(C(=O)OC)=CC(C(=O)OC)=C1C(=O)OC
Computed Properties
- Exact Mass: 268.05830272g/mol
- Monoisotopic Mass: 268.05830272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 365
- 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: 1.7
- Topological Polar Surface Area: 99.1?2
1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
81632-45-3 (1,2,4-Benzenetricarboxylic acid, 6-hydroxy-, trimethyl ester) Related Products
- 2150-46-1(Methyl 2,5-dihydroxybenzoate)
- 119-36-8(Methyl salicylate)
- 2524-37-0(ethyl 2,4-dihydroxy-6-methyl-benzoate)
- 33528-09-5(Methyl 2-hydroxy-6-methylbenzoate)
- 4670-56-8(Methyl 4-Methylsalicylate)
- 22717-57-3(Methyl 2-hydroxy-5-methylbenzoate)
- 41489-76-3(Methyl 5-Formyl-2-hydroxybenzoate)
- 6555-40-4(Ethyl 2-hydroxy-6-methylbenzoate)
- 8001-88-5(Birch Oil)
- 37418-88-5(3-Hydroxyphthalic anhydride)
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