Cas no 595567-13-8 (Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis-)
![Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis- structure](https://ossimg.kuujia.com/scimg/596000/595567-13-8x500.png)
595567-13-8 structure
Product Name:Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis-
CAS No:595567-13-8
MF:C18H16O6P2
MW:390.263566970825
CID:338286
PubChem ID:71442854
Update Time:2025-04-19
Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis- Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis-
- [4-[4-(4-phosphonophenyl)phenyl]phenyl]phosphonic acid
- DTXSID40851710
- [1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~4~,3~4~-diylbis(phosphonic acid)
- 595567-13-8
-
- Inchi： 1S/C18H16O6P2/c19-25(20,21)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)26(22,23)24/h1-12H,(H2,19,20,21)(H2,22,23,24)
- InChI Key： RWWZTTYQRYZYNM-UHFFFAOYSA-N
- SMILES： P(C1C=CC(=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)P(=O)(O)O)(=O)(O)O
Computed Properties
- Exact Mass: 390.04228
- Monoisotopic Mass: 390.04221222g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 496
- 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: 1.2
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
Phosphonic acid, [1,1':4',1''-terphenyl]-4,4''-diylbis- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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