Cas no 524674-02-0 (1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester)
524674-02-0 structure
Product Name:1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester
CAS No:524674-02-0
MF:C22H16O6
MW:376.358846664429
CID:359553
PubChem ID:71365622
Update Time:2025-04-19
1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester
- 5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
- 524674-02-0
- DTXSID20789022
- 1-Methyl 3,5-diphenyl benzene-1,3,5-tricarboxylate
-
- Inchi： 1S/C22H16O6/c1-26-20(23)15-12-16(21(24)27-18-8-4-2-5-9-18)14-17(13-15)22(25)28-19-10-6-3-7-11-19/h2-14H,1H3
- InChI Key： CWDUNIDXWJXZBI-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C1C=C(C(=O)OC)C=C(C(=O)OC2C=CC=CC=2)C=1)=O
Computed Properties
- Exact Mass: 376.09468
- Monoisotopic Mass: 376.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 507
- 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: 4.6
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
524674-02-0 (1,3,5-Benzenetricarboxylic acid, methyl diphenyl ester) Related Products
- 744-45-6(Diphenyl isophthalate)
- 93-44-7(naphthalen-2-yl benzoate)
- 84-62-8(Diphenyl phthalate)
- 93-99-2(Phenyl benzoate)
- 94-30-4(Ethyl 4-methoxybenzoate)
- 136-36-7(3-Hydroxyphenyl benzoate)
- 2150-37-0(Methyl 3,5-dimethoxybenzoate)
- 5368-81-0(Methyl 3-methoxybenzoate)
- 121-98-2(Methyl 4-methoxybenzoate)
- 1486-51-7(4-Benzyloxybenzoic acid)
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