Cas no 72473-15-5 (Propanedioic acid, (3-oxopropyl)-, dimethyl ester)
72473-15-5 structure
Product Name:Propanedioic acid, (3-oxopropyl)-, dimethyl ester
CAS No:72473-15-5
MF:C8H12O5
MW:188.177883148193
CID:543838
PubChem ID:10877877
Update Time:2025-04-19
Propanedioic acid, (3-oxopropyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (3-oxopropyl)-, dimethyl ester
- dimethyl 2-(3-oxopropyl)propanedioate
- DTXSID40446786
- 72473-15-5
- SCHEMBL4302611
-
- Inchi： 1S/C8H12O5/c1-12-7(10)6(4-3-5-9)8(11)13-2/h5-6H,3-4H2,1-2H3
- InChI Key： GVMOBBBOHCGLQW-UHFFFAOYSA-N
- SMILES： O(C)C(C(C(=O)OC)CCC=O)=O
Computed Properties
- Exact Mass: 188.06846
- Monoisotopic Mass: 188.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 183
- 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: 0
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Propanedioic acid, (3-oxopropyl)-, dimethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
72473-15-5 (Propanedioic acid, (3-oxopropyl)-, dimethyl ester) Related Products
- 27132-23-6(Dimethyl diethylmalonate)
- 6914-71-2(Dimethyl 1,1-Cyclopropanedicarboxylate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 7459-46-3(1,1,2-triethyl ethane-1,1,2-tricarboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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