Cas no 828912-29-4 (1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-)
828912-29-4 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-
CAS No:828912-29-4
MF:C16H10O9
MW:346.245205402374
CID:681095
PubChem ID:71416890
Update Time:2025-04-19
1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-
- 5-(2,4-dihydroxybenzoyl)benzene-1,2,4-tricarboxylic acid
- 828912-29-4
- DTXSID40836249
-
- Inchi： 1S/C16H10O9/c17-6-1-2-7(12(18)3-6)13(19)8-4-10(15(22)23)11(16(24)25)5-9(8)14(20)21/h1-5,17-18H,(H,20,21)(H,22,23)(H,24,25)
- InChI Key： GKSDIIQIJVYMTK-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1O)O)C1C=C(C(=O)O)C(C(=O)O)=CC=1C(=O)O
Computed Properties
- Exact Mass: 346.03248189g/mol
- Monoisotopic Mass: 346.03248189g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 572
- 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: 1.7
- Topological Polar Surface Area: 169?2
1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
828912-29-4 (1,2,4-Benzenetricarboxylic acid, 5-(2,4-dihydroxybenzoyl)-) Related Products
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