Cas no 95592-67-9 (Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester)
95592-67-9 structure
Product Name:Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester
CAS No:95592-67-9
MF:C12H14O3
MW:206.237763881683
CID:751756
PubChem ID:14683413
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester
- (4-formylphenyl) 2,2-dimethylpropanoate
- 4-FORMYLPHENYL PIVALATE
- DTXSID10562947
- SCHEMBL1666256
- 2,2-dimethyl-propionic acid 4-formyl-phenyl ester
- 4-(pivaloyloxy)benzaldehyde
- 4-Formylphenyl 2,2-dimethylpropanoate
- 95592-67-9
- MQMLDVBCIFRXET-UHFFFAOYSA-N
-
- MDL： MFCD11616922
- Inchi： 1S/C12H14O3/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-8H,1-3H3
- InChI Key： MQMLDVBCIFRXET-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 206.094294304g/mol
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 2.5
- Topological Polar Surface Area: 43.4?2
Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
95592-67-9 (Propanoic acid, 2,2-dimethyl-, 4-formylphenyl ester) Related Products
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