Cas no 89635-72-3 (Propanoic acid, 2,2-dimethyl-3-oxo-, phenyl ester)
89635-72-3 structure
Product Name:Propanoic acid, 2,2-dimethyl-3-oxo-, phenyl ester
CAS No:89635-72-3
MF:C11H12O3
MW:192.211183547974
CID:593875
PubChem ID:13269977
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-3-oxo-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2-dimethyl-3-oxo-, phenyl ester
- phenyl 2,2-dimethyl-3-oxopropanoate
- DTXSID70533496
- 89635-72-3
-
- Inchi： 1S/C11H12O3/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： FDGZHVJLAFDNTR-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C(C=O)(C)C)=O
Computed Properties
- Exact Mass: 192.078644241g/mol
- Monoisotopic Mass: 192.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 2.2
- Topological Polar Surface Area: 43.4?2
Propanoic acid, 2,2-dimethyl-3-oxo-, phenyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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