Cas no 29653-30-3 (Propanedioic acid,2,2-dichloro-, 1,3-dimethyl ester)
29653-30-3 structure
Product Name:Propanedioic acid,2,2-dichloro-, 1,3-dimethyl ester
CAS No:29653-30-3
MF:C5H6Cl2O4
MW:201.00474023819
CID:267601
PubChem ID:169067
Update Time:2025-04-19
Propanedioic acid,2,2-dichloro-, 1,3-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2,2-dichloro-, 1,3-dimethyl ester
- dimethyl 2,2-dichloropropanedioate
- Malonic acid, dichloro-, dimethyl ester
- dimethyl 2,2-dichloropropanedioate;5-Chloro-2-methylphenol
- Dimethyl dichloromalonate
- SCHEMBL2007713
- 4-02-00-01904 (Beilstein Handbook Reference)
- DTXSID20183829
- Propanedioic acid, dichloro-, dimethyl ester
- BRN 1777442
- Dimethyl dichloropropanedioate
- 29653-30-3
- IELVZWLJMUPAEK-UHFFFAOYSA-N
- A829384
-
- Inchi： 1S/C5H6Cl2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3
- InChI Key： IELVZWLJMUPAEK-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC)(C(=O)OC)Cl
Computed Properties
- Exact Mass: 199.96438
- Monoisotopic Mass: 199.9643141g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 1.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid,2,2-dichloro-, 1,3-dimethyl ester Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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