Cas no 1217-12-5 (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester)
1217-12-5 structure
Product Name:1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester
CAS No:1217-12-5
MF:C14H18O4
MW:250.290324687958
CID:1216751
PubChem ID:825803
Update Time:2025-04-20
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester
- dimethyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate
- 1217-12-5
- DTXSID80356532
- dimethyl 3,4,5,6-tetramethylphthalate
- AE-562/12222060
- SCHEMBL547214
-
- Inchi： 1S/C14H18O4/c1-7-8(2)10(4)12(14(16)18-6)11(9(7)3)13(15)17-5/h1-6H3
- InChI Key： CPDVTZGEHQIGHX-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(C(=O)OC)=C(C)C(C)=C(C)C=1C)=O
Computed Properties
- Exact Mass: 250.12054
- Monoisotopic Mass: 250.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 294
- 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: 3.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
1217-12-5 (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetramethyl-, dimethyl ester) Related Products
- 2528-16-7(Monobenzyl phthalate)
- 1679-64-7(Mono-Methyl terephthalate)
- 87-41-2(Phthalide)
- 87-24-1(Ethyl 2-methylbenzoate)
- 89-71-4(Methyl o-toluate)
- 99-75-2(Methyl p-Toluate)
- 1459-93-4(Dimethyl isophthalate)
- 2282-84-0(Methyl 2,4,6-trimethylbenzoate)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 99-36-5(Methyl 3-methylbenzoate)
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