Monomers

Monomethyl maleate

Identifiers

IUPAC name
(Z)-4-methoxy-4-oxobut-2-enoic acid
InchI
InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
InchI Key
NKHAVTQWNUWKEO-IHWYPQMZSA-N
SMILES
COC(=O)/C=C\C(=O)O
Canonical SMILES
COC(=O)C=CC(=O)O
Isomeric SMILES
COC(=O)/C=C\C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H6O4
Heavy Atom Count
9
Molecular Weight
130.099
Exact Molecular Weight
130.0266
Valence Electrons
50
Radical Electrons
0
tPSA
63.6
MolLogP
-0.1998
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6177    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    0.3319    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7110   -0.9529    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.8350    0.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -1.3977   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215   -0.7394   -0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7877    0.6990   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.4856   -0.2147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182    1.2945   -0.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675    0.5072    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710   -0.0479    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    1.6989    1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6547   -2.5079   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -1.3323   -0.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493    2.1784   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  6 14  1  0
  9 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers