Cas no 13639-21-9 (Benzoic acid,2-hydroxy-, sodium salt (1:2))
13639-21-9 structure
Product Name:Benzoic acid,2-hydroxy-, sodium salt (1:2)
CAS No:13639-21-9
MF:C7H4Na2O3
MW:182.084403991699
CID:214249
PubChem ID:160978
Update Time:2025-04-19
Benzoic acid,2-hydroxy-, sodium salt (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, sodium salt (1:2)
- disodium salicylate
- disodium,2-oxidobenzoate
- 2-Hydroxybenzoic acid, disodium salt
- Benzoic acid, 2-hydroxy-, disodium salt
- 13639-21-9
- Benzoic acid, 2-hydroxy-, sodium salt (1:2)
- DTXSID60889616
- EINECS 237-127-8
-
- Inchi： 1S/C7H6O3.2Na/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;/q;2*+1/p-2
- InChI Key： XQOMBBVRHLFPOS-UHFFFAOYSA-L
- SMILES： [Na+].[Na+].[O-]C1C=CC=CC=1C(=O)[O-]
Computed Properties
- Exact Mass: 181.99562
- Monoisotopic Mass: 181.99558255g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 127
- 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: 63.2?2
Experimental Properties
- PSA: 63.19
Benzoic acid,2-hydroxy-, sodium salt (1:2) Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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