Cas no 60179-43-3 (3-(2,6-dimethylphenoxy)-3-oxopropanoate)
60179-43-3 structure
Product Name:3-(2,6-dimethylphenoxy)-3-oxopropanoate
CAS No:60179-43-3
MF:C11H11O4
MW:207.202643632889
CID:1618723
PubChem ID:7067592
Update Time:2025-04-21
3-(2,6-dimethylphenoxy)-3-oxopropanoate Chemical and Physical Properties
Names and Identifiers
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- 3-(2,6-dimethylphenoxy)-3-oxopropanoate
- 60179-43-3
- DTXSID10427724
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- Inchi： 1S/C11H12O4/c1-7-4-3-5-8(2)11(7)15-10(14)6-9(12)13/h3-5H,6H2,1-2H3,(H,12,13)/p-1
- InChI Key： RWJXQVVEXSSBKN-UHFFFAOYSA-M
- SMILES： O(C(CC(=O)[O-])=O)C1C(C)=CC=CC=1C
Computed Properties
- Exact Mass: 207.06573
- Monoisotopic Mass: 207.06573383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 234
- 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: 2.7
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
3-(2,6-dimethylphenoxy)-3-oxopropanoate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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