Home Other Building Blocks Dimethyl glutaconate, E/Z mixture

Dimethyl glutaconate, E/Z mixture

CAS No.:
5164-76-1
Catalog Number:
AG0034R8
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$28
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Product Description
Catalog Number:
AG0034R8
Chemical Name:
Dimethyl glutaconate, E/Z mixture
CAS Number:
5164-76-1
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD00066240
IUPAC Name:
dimethyl (E)-pent-2-enedioate
InChI:
InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
InChI Key:
SKCGFFOFYXLNCG-ONEGZZNKSA-N
SMILES:
COC(=O)C/C=C/C(=O)OC
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Antifungal properties of 2-bromo-3-fluorosuccinic acid esters and related compounds. Journal of medicinal chemistry 19770401
Properties