Cas no 114879-31-1 ([1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo-)
![[1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo- structure](https://ossimg.kuujia.com/scimg/115000/114879-31-1x500.png)
114879-31-1 structure
Product Name:[1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo-
CAS No:114879-31-1
MF:C13H10O5S
MW:278.280502796173
CID:130516
PubChem ID:5182549
Update Time:2025-04-19
[1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo-
- 4-(4-Aminosulfonylphenyl)benzoic acid
- 4-(4-sulfophenyl)benzoic acid
- [1,1'-Biphenyl]-4-carboxylicacid,4'-sulfo
- 4-Biphenylcarboxylicacid,4'-sulfo-(4CI)
- 4'-Sulfo-biphenyl-4-carbonsaeure
- 4'-sulfo-biphenyl-4-carboxylic acid
- 4'-Sulfo-biphenyl-carbonsaeure-(4)
- AKOS030533662
- Z2754331732
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-sulfo-
- DTXSID90409245
- 114879-31-1
-
- Inchi： 1S/C13H10O5S/c14-13(15)11-3-1-9(2-4-11)10-5-7-12(8-6-10)19(16,17)18/h1-8H,(H,14,15)(H,16,17,18)
- InChI Key： PWULGFUNKQJPNG-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C1C=CC(C(=O)O)=CC=1)(=O)(=O)O
Computed Properties
- Exact Mass: 277.04100
- Monoisotopic Mass: 278.02489459g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 105.84000
- LogP: 3.48030
[1,1'-Biphenyl]-4-carboxylicacid, 4'-sulfo- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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