Cas no 875-28-5 (2,3-dihydroxybenzoic acid)
2,3-dihydroxybenzoic acid structure
Product Name:2,3-dihydroxybenzoic acid
CAS No:875-28-5
MF:C7H5NaO4
MW:176.101973295212
CID:722416
Update Time:2023-11-18
2,3-dihydroxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,3-dihydroxy-, sodium salt (1:1)
- 2,3-dihydroxybenzoic acid
- Sodium 3-carboxy-2-hydroxyphenolate
- CID 138402605
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- Inchi： 1S/C7H6O4.Na/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1
- InChI Key： FHOORYTUOJZFMM-UHFFFAOYSA-M
- SMILES： [Na+].OC1C(=CC=CC=1C(=O)O)[O-]
Computed Properties
- Exact Mass: 176.009
- Monoisotopic Mass: 176.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 162
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.6
2,3-dihydroxybenzoic acid Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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