Cas no 62554-44-3 (Propanoic acid, 2-chloro-2-methyl-, ethyl ester)
62554-44-3 structure
Product Name:Propanoic acid, 2-chloro-2-methyl-, ethyl ester
CAS No:62554-44-3
MF:C6H11ClO2
MW:150.603341341019
CID:440430
PubChem ID:3652804
Update Time:2025-04-19
Propanoic acid, 2-chloro-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-chloro-2-methyl-, ethyl ester
- ethyl 2-chloro-2-methylpropanoate
- 62554-44-3
- AKOS024340631
- DTXSID90394687
- 2-chloro-2-methyl-propionic acid ethyl ester
- SCHEMBL513322
-
- Inchi： 1S/C6H11ClO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
- InChI Key： ARQNAXVQDYBTEE-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OCC)(C)C
Computed Properties
- Exact Mass: 150.04483
- Monoisotopic Mass: 150.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 110
- 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: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2-chloro-2-methyl-, ethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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