Cas no 820243-51-4 (1,3-Benzenedicarboxylic acid, 5-hydroxy-4-(2-hydroxybenzoyl)-)
820243-51-4 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-hydroxy-4-(2-hydroxybenzoyl)-
CAS No:820243-51-4
MF:C15H10O7
MW:302.235704898834
CID:700265
PubChem ID:11208852
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-hydroxy-4-(2-hydroxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-hydroxy-4-(2-hydroxybenzoyl)-
- 5-hydroxy-4-(2-hydroxybenzoyl)benzene-1,3-dicarboxylic acid
- 820243-51-4
- DTXSID40458869
- SCHEMBL22938974
-
- Inchi： 1S/C15H10O7/c16-10-4-2-1-3-8(10)13(18)12-9(15(21)22)5-7(14(19)20)6-11(12)17/h1-6,16-17H,(H,19,20)(H,21,22)
- InChI Key： DDQWYQYUNOWSNJ-UHFFFAOYSA-N
- SMILES： OC1=CC(C(=O)O)=CC(C(=O)O)=C1C(C1C=CC=CC=1O)=O
Computed Properties
- Exact Mass: 302.04265265g/mol
- Monoisotopic Mass: 302.04265265g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 461
- 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: 2.2
- Topological Polar Surface Area: 132?2
1,3-Benzenedicarboxylic acid, 5-hydroxy-4-(2-hydroxybenzoyl)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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