Cas no 15596-76-6 (1,4-Benzenedicarboxylicacid, sodium salt (1:?))
15596-76-6 structure
Product Name:1,4-Benzenedicarboxylicacid, sodium salt (1:?)
CAS No:15596-76-6
MF:C8H5NaO4
MW:188.112673521042
CID:98637
PubChem ID:23668866
Update Time:2025-04-18
1,4-Benzenedicarboxylicacid, sodium salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylicacid, sodium salt (1:?)
- SODIUM TEREPHTHALATE
- DJYPJBAHKUBLSS-UHFFFAOYSA-M
- monosodium terephthalate
- SCHEMBL376019
- sodium hydrogen terephthalate
- sodium;4-carboxybenzoate
- sodium 4-carboxybenzoate
- 15596-76-6
-
- Inchi： 1S/C8H6O4.Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
- InChI Key： DJYPJBAHKUBLSS-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C(C1C=CC(C(=O)O)=CC=1)=O
Computed Properties
- Exact Mass: 188.00900
- Monoisotopic Mass: 188.00855292g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 196
- 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: 77.4?2
Experimental Properties
- PSA: 77.43000
- LogP: -0.25170
1,4-Benzenedicarboxylicacid, sodium salt (1:?) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
15596-76-6 (1,4-Benzenedicarboxylicacid, sodium salt (1:?)) Related Products
- 499-06-9(3,5-Dimethylbenzoic acid)
- 121-91-5(Isophthalic acid)
- 65-85-0(Benzoic 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)
- 619-04-5(3,4-Dimethylbenzoic acid)
- 582-25-2(Potassium benzoate)
- 99-04-7(3-methylbenzoic acid)
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