Cas no 59935-80-7 (1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester)
59935-80-7 structure
Product Name:1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester
CAS No:59935-80-7
MF:C22H18O4
MW:346.375926494598
CID:336756
PubChem ID:6425687
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester
- bis(3-methylphenyl) benzene-1,2-dicarboxylate
- CNZWUMLUHRMYDE-UHFFFAOYSA-N
- Phthalic acid, di(3-methylphenyl) ester
- DTXSID60423756
- CHEBI:144344
- 59935-80-7
-
- Inchi： 1S/C22H18O4/c1-15-7-5-9-17(13-15)25-21(23)19-11-3-4-12-20(19)22(24)26-18-10-6-8-16(2)14-18/h3-14H,1-2H3
- InChI Key： CNZWUMLUHRMYDE-UHFFFAOYSA-N
- SMILES： O(C(C1=CC=CC=C1C(=O)OC1=CC=CC(C)=C1)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 346.12054
- Monoisotopic Mass: 346.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 445
- 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: 5.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
59935-80-7 (1,2-Benzenedicarboxylic acid, bis(3-methylphenyl) ester) Related Products
- 724-98-1(2-(Phenoxymethyl)benzoic acid)
- 744-45-6(Diphenyl isophthalate)
- 168899-58-9(3-Acetoxy-2-methylbenzoic acid)
- 2444-19-1(4-Hydroxyphenyl benzoate)
- 84-62-8(Diphenyl phthalate)
- 93-99-2(Phenyl benzoate)
- 17819-91-9(4-(Benzyloxy)-2-methylbenzoic acid)
- 17696-62-7(Phenyl 4-hydroxybenzoate)
- 1539-04-4(1,4-diphenyl benzene-1,4-dicarboxylate)
- 108593-47-1(Methyl 3-ethoxybenzoate)
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