Cas no 75716-69-7 (1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl ester)
75716-69-7 structure
Product Name:1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl ester
CAS No:75716-69-7
MF:C11H12O5
MW:224.209983825684
CID:539097
PubChem ID:10489308
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl ester
- dimethyl 2-hydroxy-4-methylbenzene-1,3-dicarboxylate
- SCHEMBL4099060
- DTXSID00440765
- 75716-69-7
- 1,3-DIMETHYL 2-HYDROXY-4-METHYLBENZENE-1,3-DICARBOXYLATE
- CSTDQHZKPMTJNY-UHFFFAOYSA-N
-
- Inchi： 1S/C11H12O5/c1-6-4-5-7(10(13)15-2)9(12)8(6)11(14)16-3/h4-5,12H,1-3H3
- InChI Key： CSTDQHZKPMTJNY-UHFFFAOYSA-N
- SMILES： OC1=C(C(=O)OC)C=CC(C)=C1C(=O)OC
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 2.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl ester Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
75716-69-7 (1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methyl-, dimethyl 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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