Cas no 61415-66-5 (1,2,4-Benzenetricarboxylic acid, 5-(4-methoxybenzoyl)-)
61415-66-5 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 5-(4-methoxybenzoyl)-
CAS No:61415-66-5
MF:C17H12O8
MW:344.272385597229
CID:480328
PubChem ID:12307083
Update Time:2025-04-19
1,2,4-Benzenetricarboxylic acid, 5-(4-methoxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, 5-(4-methoxybenzoyl)-
- 5-(4-methoxybenzoyl)benzene-1,2,4-tricarboxylic acid
- 61415-66-5
- DTXSID60486846
-
- Inchi: 1S/C17H12O8/c1-25-9-4-2-8(3-5-9)14(18)10-6-12(16(21)22)13(17(23)24)7-11(10)15(19)20/h2-7H,1H3,(H,19,20)(H,21,22)(H,23,24)
- InChI Key: XYSQJZMZIAOBGG-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(=CC=1)OC)C1C=C(C(=O)O)C(C(=O)O)=CC=1C(=O)O
Computed Properties
- Exact Mass: 344.05316
- Monoisotopic Mass: 344.05321734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 549
- 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: 1.8
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 138.2
1,2,4-Benzenetricarboxylic acid, 5-(4-methoxybenzoyl)- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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