Cas no 828912-31-8 (1,3-Benzenedicarboxylic acid, 4,6-bis(2,4-dihydroxybenzoyl)-)
828912-31-8 structure
Product Name:1,3-Benzenedicarboxylic acid, 4,6-bis(2,4-dihydroxybenzoyl)-
CAS No:828912-31-8
MF:C22H14O10
MW:438.340567111969
CID:681093
PubChem ID:71416888
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4,6-bis(2,4-dihydroxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4,6-bis(2,4-dihydroxybenzoyl)-
- 4,6-bis(2,4-dihydroxybenzoyl)benzene-1,3-dicarboxylic acid
- 828912-31-8
- DTXSID20836247
-
- Inchi： 1S/C22H14O10/c23-9-1-3-11(17(25)5-9)19(27)13-7-14(16(22(31)32)8-15(13)21(29)30)20(28)12-4-2-10(24)6-18(12)26/h1-8,23-26H,(H,29,30)(H,31,32)
- InChI Key： YYMSYDMBLFOXAW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1O)O)C1C(C(=O)O)=CC(C(=O)O)=C(C(C2C=CC(=CC=2O)O)=O)C=1
Computed Properties
- Exact Mass: 438.05869664g/mol
- Monoisotopic Mass: 438.05869664g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 691
- 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: 3.3
- Topological Polar Surface Area: 190?2
1,3-Benzenedicarboxylic acid, 4,6-bis(2,4-dihydroxybenzoyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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