Cas no 123465-67-8 (p-Aminosalicylic acid magnesium salt)
123465-67-8 structure
Product Name:p-Aminosalicylic acid magnesium salt
CAS No:123465-67-8
MF:C14H12MgN2O6
MW:328.55988407135
CID:63685
PubChem ID:57086143
Update Time:2025-04-18
p-Aminosalicylic acid magnesium salt Chemical and Physical Properties
Names and Identifiers
-
- p-Aminosalicylic acid magnesium salt
- 4-Amino-2-hydroxybenzoic acid magnesium salt (2:1) tetrahydrate
- magnesium,5-amino-2-carboxyphenolate
- Q822
- P-AMINO SALICYLIC ACID MAGNESIUM
- 4-amino-2-hydroxybenzoic acid magnesium salt tetrahydrate
- magnesium;5-amino-2-carboxyphenolate
- DTXSID20241190
- 123465-67-8
-
- Inchi: 1S/2C7H7NO3.Mg/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
- InChI Key: OLNYXANHZIFMBQ-UHFFFAOYSA-L
- SMILES: [Mg+2].[O-]C1C=C(C=CC=1C(=O)O)N.[O-]C1C=C(C=CC=1C(=O)O)N
Computed Properties
- Exact Mass: 328.05500
- Monoisotopic Mass: 328.0545778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 160
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 173?2
Experimental Properties
- PSA: 145.10000
- LogP: 2.35340
p-Aminosalicylic acid magnesium salt Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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