Cas no 143427-46-7 (Acetic acid, 2-oxo-,phenyl ester)
143427-46-7 structure
Product Name:Acetic acid, 2-oxo-,phenyl ester
CAS No:143427-46-7
MF:C8H6O3
MW:150.131442546844
CID:108347
PubChem ID:11521106
Update Time:2025-04-18
Acetic acid, 2-oxo-,phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, 2-oxo-,phenyl ester
- SCHEMBL93342
- CHEMBL234000
- phenyl 2-oxoacetate;Benzoylformic acid
- Acetic acid, oxo-, phenyl ester (9CI)
- A833074
- 143427-46-7
- Phenyl 2-oxoacetate
-
- Inchi： 1S/C8H6O3/c9-6-8(10)11-7-4-2-1-3-5-7/h1-6H
- InChI Key： PZXHOJFANUNWGC-UHFFFAOYSA-N
- SMILES： O(C(C=O)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 150.03168
- Monoisotopic Mass: 150.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 1.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Acetic acid, 2-oxo-,phenyl ester Related Literature
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David C. Fabry,Steffen Heddrich,Erli Sugiono,Marcel A. Liauw,Magnus Rueping React. Chem. Eng. 2019 4 1486
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José A. Carmona,Gonzalo de Gonzalo,Inmaculada Serrano,Ana M. Crespo-Pe?a,Michal ?imek,David Monge,Rosario Fernández,José M. Lassaletta Org. Biomol. Chem. 2017 15 2993
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3. Crystal structure, redox and spectral properties of copper(II) complexes with macrocyclic ligands incorporating both oxamido and imine groupsEn-Qing Gao,Wei-Ming Bu,Guang-Ming Yang,Dai-Zheng Liao,Zong-Hui Jiang,Shi-Ping Yan,Geng-Lin Wang J. Chem. Soc. Dalton Trans. 2000 1431
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4. Crystal structure, redox and spectral properties of copper(II) complexes with macrocyclic ligands incorporating both oxamido and imine groupsEn-Qing Gao,Wei-Ming Bu,Guang-Ming Yang,Dai-Zheng Liao,Zong-Hui Jiang,Shi-Ping Yan,Geng-Lin Wang J. Chem. Soc. Dalton Trans. 2000 1431
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Matthew A. McDonald,Hossein Salami,Patrick R. Harris,Colton E. Lagerman,Xiaochuan Yang,Andreas S. Bommarius,Martha A. Grover,Ronald W. Rousseau React. Chem. Eng. 2021 6 364
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