Cas no 67258-88-2 (Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester)
67258-88-2 structure
Product Name:Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester
CAS No:67258-88-2
MF:C11H14O3
MW:194.227063655853
CID:502124
PubChem ID:14096403
Update Time:2025-04-19
Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester
- PIVALIC ACID, P-HYDROXYPHENYL ESTER (6CI)
- 4-(tert-butyryloxy)phenol
- 4-Pivaloyloxy-phenol
- p-pivaloxyphenol
- p-pivaloyloxyphenol
- 2,2-Dimethylpropanoic acid 4-hydroxyphenyl ester
- SCHEMBL8403640
- 67258-88-2
- 4-hydroxyphenyl pivalate
- Propanoic acid, 2,2-dimethyl-, 4-hydroxyphenyl ester
- (4-hydroxyphenyl) 2,2-dimethylpropanoate
- AKOS006308832
-
- Inchi： 1S/C11H14O3/c1-11(2,3)10(13)14-9-6-4-8(12)5-7-9/h4-7,12H,1-3H3
- InChI Key： IUHAPGFWSDJMIZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)O)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 194.09400
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 197
- 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: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 2.34370
Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
67258-88-2 (Propanoicacid, 2,2-dimethyl-, 4-hydroxyphenyl ester) Related Products
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