Cas no 96860-18-3 (Phenol, 2-[(benzoyldioxy)carbonyl]-)
![Phenol, 2-[(benzoyldioxy)carbonyl]- structure](https://ossimg.kuujia.com/scimg/97000/96860-18-3x500.png)
96860-18-3 structure
Product Name:Phenol, 2-[(benzoyldioxy)carbonyl]-
CAS No:96860-18-3
MF:C14H10O5
MW:258.226204395294
CID:734591
PubChem ID:13457833
Update Time:2024-03-02
Phenol, 2-[(benzoyldioxy)carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[(benzoyldioxy)carbonyl]-
- benzoyl 2-hydroxybenzenecarboperoxoate
-
- Inchi： 1S/C14H10O5/c15-12-9-5-4-8-11(12)14(17)19-18-13(16)10-6-2-1-3-7-10/h1-9,15H
- InChI Key： HCWRUKQBSCVCSI-UHFFFAOYSA-N
- SMILES： C1(O)=CC=CC=C1C(OOC(=O)C1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 258.05282342g/mol
- Monoisotopic Mass: 258.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 322
- 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: 4.1
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.348±0.06 g/cm3(Predicted)
- Boiling Point: 399.0±44.0 °C(Predicted)
- pka: 7.50±0.30(Predicted)
Phenol, 2-[(benzoyldioxy)carbonyl]- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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