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Fumaric acid monoethyl ester magnesium salt

CAS No.:
83918-60-9
Catalog Number:
AG003QP3
Molecular Formula:
C12H14MgO8
Molecular Weight:
310.5398
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Product Description
Catalog Number:
AG003QP3
Chemical Name:
Fumaric acid monoethyl ester magnesium salt
CAS Number:
83918-60-9
Molecular Formula:
C12H14MgO8
Molecular Weight:
310.5398
MDL Number:
MFCD00040433
IUPAC Name:
magnesium;(E)-4-ethoxy-4-oxobut-2-enoate
InChI:
InChI=1S/2C6H8O4.Mg/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;
InChI Key:
ZHLRSUSHKGQBNV-SYWGCQIGSA-L
SMILES:
CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Mg+2]
EC Number:
281-295-5
UNII:
D5767608S8
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
310.054g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.541g/mol
Monoisotopic Mass:
310.054g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties