Cas no 84741-02-6 (Benzoic acid, 4-hydroxy-2,6-dimethoxy-)
84741-02-6 structure
Product Name:Benzoic acid, 4-hydroxy-2,6-dimethoxy-
CAS No:84741-02-6
MF:C9H10O5
MW:198.172703266144
CID:1825583
PubChem ID:22616650
Update Time:2025-04-21
Benzoic acid, 4-hydroxy-2,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-2,6-dimethoxy-
- 4-HYDROXY-2,6-DIMETHOXY BENZOIC ACID
- 4-hydroxy-2,6-dimethoxybenzoic acid
- 84741-02-6
- AKOS006272182
- SCHEMBL7718116
- CHEMBL504944
- DTXSID20626963
- 2,6-dimethoxy-4-hydroxyl benzoic acid
- 4-Hydroxy-2,6-dimethoxybenzoate
- AG-690/32524052
- DTXCID90577716
-
- Inchi： 1S/C9H10O5/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4,10H,1-2H3,(H,11,12)
- InChI Key： HIVSALLSJIAQQF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1C(=O)O)OC)O
Computed Properties
- Exact Mass: 198.05282342g/mol
- Monoisotopic Mass: 198.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 191
- 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: 0.1
- Topological Polar Surface Area: 76?2
Benzoic acid, 4-hydroxy-2,6-dimethoxy- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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