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Ethyl Methyl Carbonate

CAS No.:
623-53-0
Catalog Number:
AG0034WG
Molecular Formula:
C4H8O3
Molecular Weight:
104.1045
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Product Description
Catalog Number:
AG0034WG
Chemical Name:
Ethyl Methyl Carbonate
CAS Number:
623-53-0
Molecular Formula:
C4H8O3
Molecular Weight:
104.1045
MDL Number:
MFCD00191398
IUPAC Name:
ethyl methyl carbonate
InChI:
InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
InChI Key:
JBTWLSYIZRCDFO-UHFFFAOYSA-N
SMILES:
CCOC(=O)OC
UNII:
OU358HAE25
Properties
Complexity:
60  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.047g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.105g/mol
Monoisotopic Mass:
104.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Dielectric properties of organic solvents from non-polarizable molecular dynamics simulation with electronic continuum model and density functional theory. The journal of physical chemistry. B 20111103
One-step hydrothermal synthesis of mesoporous anatase TiO₂ microsphere and interfacial control for enhanced lithium storage performance. ACS applied materials & interfaces 20110901
Theoretical investigations on oxidative stability of solvents and oxidative decomposition mechanism of ethylene carbonate for lithium ion battery use. The journal of physical chemistry. B 20091231
Solvent decompositions and physical properties of decomposition compounds in Li-ion battery electrolytes studied by DFT calculations and molecular dynamics simulations. The journal of physical chemistry. B 20050224
In situ raman microscopy of individual LiNi0.8Co0.15Al0.05O2 particles in a Li-ion battery composite cathode. The journal of physical chemistry. B 20050120
Properties