Cas no 22836-27-7 (Benzoic acid, 4,4',4''-phosphinidynetris-)
22836-27-7 structure
Product Name:Benzoic acid, 4,4',4''-phosphinidynetris-
CAS No:22836-27-7
MF:C21H15O6P
MW:394.313966989517
CID:1412121
PubChem ID:15797840
Update Time:2025-04-20
Benzoic acid, 4,4',4''-phosphinidynetris- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,4',4''-phosphinidynetris-
- 4-bis(4-carboxyphenyl)phosphanylbenzoic acid
- 22836-27-7
- DTXSID50578406
- 4,4',4''-Phosphanetriyltribenzoic acid
- E73817
- SCHEMBL2422881
-
- Inchi： 1S/C21H15O6P/c22-19(23)13-1-7-16(8-2-13)28(17-9-3-14(4-10-17)20(24)25)18-11-5-15(6-12-18)21(26)27/h1-12H,(H,22,23)(H,24,25)(H,26,27)
- InChI Key： UDCBIOUMTDEDCU-UHFFFAOYSA-N
- SMILES： P(C1C=CC(C(=O)O)=CC=1)(C1C=CC(C(=O)O)=CC=1)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 394.06065
- Monoisotopic Mass: 394.06062519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 489
- 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: 3.2
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
- LogP: 2.53940
Benzoic acid, 4,4',4''-phosphinidynetris- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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