Cas no 918668-58-3 (3,5-Dihydroxy-2-(hydroxymethyl)benzoic acid)
918668-58-3 structure
Product Name:3,5-Dihydroxy-2-(hydroxymethyl)benzoic acid
CAS No:918668-58-3
MF:C8H8O5
MW:184.146122932434
CID:771574
Update Time:2023-08-03
3,5-Dihydroxy-2-(hydroxymethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,5-dihydroxy-2-(hydroxymethyl)-
- 3,5-dihydroxy-2-(hydroxymethyl)benzoic acid
- 3,5-Dihydroxy-2-(hydroxymethyl)benzoic acid
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- Inchi： 1S/C8H8O5/c9-3-6-5(8(12)13)1-4(10)2-7(6)11/h1-2,9-11H,3H2,(H,12,13)
- InChI Key： ZCLQMXZHBQFNLS-UHFFFAOYSA-N
- SMILES： OC1=CC(=CC(C(=O)O)=C1CO)O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- XLogP3: 0.4
- Topological Polar Surface Area: 98
3,5-Dihydroxy-2-(hydroxymethyl)benzoic acid Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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