Cas no 116252-13-2 (methyl 2,2-dimethyl-3-propoxypropanoate)
116252-13-2 structure
Product Name:methyl 2,2-dimethyl-3-propoxypropanoate
CAS No:116252-13-2
MF:C9H18O3
MW:174.237423419952
CID:2132852
PubChem ID:14302196
Update Time:2025-04-21
methyl 2,2-dimethyl-3-propoxypropanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2,2-dimethyl-3-propoxypropanoate
- SCHEMBL10682128
- 116252-13-2
- DA-33089
- methyl 2,2-dimethyl-4-oxaheptylate
- AKOS018179670
- RJPSHAMSGLNFBL-UHFFFAOYSA-N
-
- Inchi： 1S/C9H18O3/c1-5-6-12-7-9(2,3)8(10)11-4/h5-7H2,1-4H3
- InChI Key： RJPSHAMSGLNFBL-UHFFFAOYSA-N
- SMILES： O(CCC)CC(C(=O)OC)(C)C
Computed Properties
- Exact Mass: 174.125594432Da
- Monoisotopic Mass: 174.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 141
- 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: 1.7
- Topological Polar Surface Area: 35.5?2
methyl 2,2-dimethyl-3-propoxypropanoate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
116252-13-2 (methyl 2,2-dimethyl-3-propoxypropanoate) Related Products
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