Cas no 63877-42-9 (Propanedioic acid, methyl 1-methylethyl ester)
63877-42-9 structure
Product Name:Propanedioic acid, methyl 1-methylethyl ester
CAS No:63877-42-9
MF:C7H12O4
MW:160.167782783508
CID:425515
PubChem ID:22058988
Update Time:2025-04-19
Propanedioic acid, methyl 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, methyl 1-methylethyl ester
- 1-O-methyl 3-O-propan-2-yl propanedioate
- DTXSID10622131
- SCHEMBL1983440
- methyl isopropyl malonate
- Methyl propan-2-yl propanedioate
- SY352190
- isopropyl methyl malonate
- 63877-42-9
-
- Inchi： 1S/C7H12O4/c1-5(2)11-7(9)4-6(8)10-3/h5H,4H2,1-3H3
- InChI Key： WVMXPRWVUFCGTJ-UHFFFAOYSA-N
- SMILES： O(C(CC(=O)OC)=O)C(C)C
Computed Properties
- Exact Mass: 160.07356
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 151
- 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: 0.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, methyl 1-methylethyl ester Related Literature
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
63877-42-9 (Propanedioic acid, methyl 1-methylethyl ester) Related Products
- 40052-13-9(Mono-tert-butyl Malonate)
- 67035-94-3(Diethyl Malonate-2-13C)
- 42726-73-8(1-tert-butyl 3-methyl propanedioate)
- 77386-82-4(Diethyl Malonate-13C2)
- 13195-64-7(1,3-bis(propan-2-yl) propanedioate)
- 105-53-3(1,3-diethyl propanedioate)
- 541-16-2(ditert-butyl propanedioate)
- 32864-38-3(1-tert-butyl 3-ethyl propanedioate)
- 1071-46-1(3-ethoxy-3-oxo-propanoic acid)
- 1117-19-7(Dipropyl malonate)
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