Cas no 61019-06-5 (Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester)
61019-06-5 structure
Product Name:Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester
CAS No:61019-06-5
MF:C13H18O2
MW:206.280824184418
CID:494335
PubChem ID:532763
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester
- (3,5-dimethylphenyl) 2,2-dimethylpropanoate
- DTXSID30336369
- 3,5-DIMETHYLPHENYL 2,2-DIMETHYLPROPANOATE
- 3,5-dimethylphenyl pivalate
- 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester
- G61644
- UHUMTAJLAWWWEZ-UHFFFAOYSA-N
- SCHEMBL17585017
- 61019-06-5
-
- Inchi： 1S/C13H18O2/c1-9-6-10(2)8-11(7-9)15-12(14)13(3,4)5/h6-8H,1-5H3
- InChI Key： UHUMTAJLAWWWEZ-UHFFFAOYSA-N
- SMILES： O(C1C=C(C)C=C(C)C=1)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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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