Cas no 17264-54-9 (Benzoic acid,4-methyl-, sodium salt (1:1))
17264-54-9 structure
Product Name:Benzoic acid,4-methyl-, sodium salt (1:1)
CAS No:17264-54-9
MF:C8H7NaO2
MW:158.129753351212
CID:142982
PubChem ID:23664973
Update Time:2025-04-19
Benzoic acid,4-methyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-methyl-, sodium salt (1:1)
- sodium,4-methylbenzoate
- SCHEMBL1042424
- 17264-54-9
- DTXSID20169360
- AKOS022190824
- Sodium p-toluate
- AKOS003052993
- Benzoic acid, 4-methyl-, sodium salt
- Sodium 4-toluate
-
- Inchi： 1S/C8H8O2.Na/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H,9,10);/q;+1/p-1
- InChI Key： GNCGTEQGBYYYBX-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 158.03441
- Monoisotopic Mass: 158.03437374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 40.1?2
Experimental Properties
- PSA: 40.13
Benzoic acid,4-methyl-, sodium salt (1:1) Related Literature
-
Shannon M. Biros,Julius Rebek,Jr. Chem. Soc. Rev. 2007 36 93
17264-54-9 (Benzoic acid,4-methyl-, sodium salt (1:1)) Related Products
- 499-06-9(3,5-Dimethylbenzoic acid)
- 121-91-5(Isophthalic acid)
- 65-85-0(Benzoic acid)
- 100-21-0(Terephthalic acid)
- 99-94-5(4-Methylbenzoic acid)
- 499-49-0(5-Methylisophthalic acid)
- 554-95-0(Benzene-1,3,5-tricarboxylic acid)
- 619-21-6(3-Formylbenzoic acid)
- 582-25-2(Potassium benzoate)
- 99-04-7(3-methylbenzoic acid)
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