Cas no 676267-66-6 (2,3-Bis(hydroxymethyl)benzoic acid)
676267-66-6 structure
Product Name:2,3-Bis(hydroxymethyl)benzoic acid
CAS No:676267-66-6
MF:C9H10O4
MW:182.173303127289
CID:2798063
PubChem ID:22757716
Update Time:2025-04-21
2,3-Bis(hydroxymethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID50628152
- 2,3-Bis(hydroxymethyl)benzoic acid
- SCHEMBL2176017
- 676267-66-6
-
- Inchi： 1S/C9H10O4/c10-4-6-2-1-3-7(9(12)13)8(6)5-11/h1-3,10-11H,4-5H2,(H,12,13)
- InChI Key： CQRAQUMNKLKKFA-UHFFFAOYSA-N
- SMILES： OCC1C(C(=O)O)=CC=CC=1CO
Computed Properties
- Exact Mass: 182.05790880Da
- Monoisotopic Mass: 182.05790880Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 180
- 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: -0.3
- Topological Polar Surface Area: 77.8?2
2,3-Bis(hydroxymethyl)benzoic acid Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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