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| CAS No.: | 15464-47-8 |
|---|---|
| Name: | Tetraphenylphosphonium phenolate |
| Molecular Structure: | |
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| Formula: | C30H25OP |
| Molecular Weight: | 432.502 |
| Synonyms: | Phosphonium, tetraphenyl- phenolate (1:1);Tetraphenylphosphonium phenoxide; |
| EINECS: | 239-480-3 |
| PSA: | 36.65000 |
| LogP: | 6.13640 |
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Specification
The Tetraphenylphosphonium phenolate, with the CAS registry number 15464-47-8, is also known as Phosphonium, tetraphenyl- phenolate (1:1). Its EINECS number is 239-480-3. This chemical's molecular formula is C30H25OP and molecular weight is 432.49. What's more, its IUPAC name is tetraphenylphosphanium phenoxide.
Computational chemistry data of Tetraphenylphosphonium phenolate are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 4; (4)Exact Mass: 432.164302; (5)MonoIsotopic Mass: 432.164302; (6)Topological Polar Surface Area: 23.1; (7)Heavy Atom Count: 32; (8)Formal Charge: 0; (9)Complexity: 348; (10)Isotope Atom Count: 0; (11)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C24H20P.C6H6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1
(3)InChIKey: ZLLNYWQSSYUXJM-UHFFFAOYSA-M