Cas no 51762-53-9 (1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)-)
51762-53-9 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)-
CAS No:51762-53-9
MF:C14H10O6S
MW:306.290603160858
CID:361499
PubChem ID:20317790
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)-
- 4-(benzenesulfonyl)benzene-1,3-dicarboxylic acid
- DTXSID90605144
- SCHEMBL1296294
- 51762-53-9
-
- Inchi： 1S/C14H10O6S/c15-13(16)9-6-7-12(11(8-9)14(17)18)21(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
- InChI Key： KJBHMFAJLAXROL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C=CC(C(=O)O)=CC=1C(=O)O)(=O)=O
Computed Properties
- Exact Mass: 306.0198
- Monoisotopic Mass: 306.01980921g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 500
- 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: 117?2
Experimental Properties
- PSA: 108.74
1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
51762-53-9 (1,3-Benzenedicarboxylic acid, 4-(phenylsulfonyl)-) Related Products
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