Cas no 62581-67-3 (Propanoic acid, 2-methyl-, 2,2-dichloroethenyl ester)
62581-67-3 structure
Product Name:Propanoic acid, 2-methyl-, 2,2-dichloroethenyl ester
CAS No:62581-67-3
MF:C6H8Cl2O2
MW:183.032520294189
CID:439358
PubChem ID:23261264
Update Time:2025-04-19
Propanoic acid, 2-methyl-, 2,2-dichloroethenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-methyl-, 2,2-dichloroethenyl ester
- 2,2-dichloroethenyl 2-methylpropanoate
- DTXSID80631699
- 62581-67-3
-
- Inchi： 1S/C6H8Cl2O2/c1-4(2)6(9)10-3-5(7)8/h3-4H,1-2H3
- InChI Key： XPIZIMDRLXSHKX-UHFFFAOYSA-N
- SMILES： Cl/C(=C/OC(C(C)C)=O)/Cl
Computed Properties
- Exact Mass: 181.99024
- Monoisotopic Mass: 181.9901349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 148
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2-methyl-, 2,2-dichloroethenyl ester Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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