Cas no 61666-29-3 (Propanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester)
61666-29-3 structure
Product Name:Propanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester
CAS No:61666-29-3
MF:C13H18O2
MW:206.280824184418
CID:470875
PubChem ID:12525083
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester
- (2,6-dimethylphenyl) 2,2-dimethylpropanoate
- 2,6-dimethylphenyl pivalate
- F70485
- DTXSID40501329
- 2,6-Dimethylphenyl 2,2-dimethylpropanoate
- 61666-29-3
-
- Inchi： 1S/C13H18O2/c1-9-7-6-8-10(2)11(9)15-12(14)13(3,4)5/h6-8H,1-5H3
- InChI Key： VLCQBDFUHYJXBA-UHFFFAOYSA-N
- SMILES： O(C1C(C)=CC=CC=1C)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 217
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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