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
    1.9263   -1.4854    2.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.3714    1.2543 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6497   -0.1616    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    0.8014    0.8667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    0.0191   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6247    1.1592   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    1.3451   -1.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742    2.4534   -2.4855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5801    0.2752   -2.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -2.1686    2.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -0.4819    2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568   -1.8546    1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0877   -0.8059   -0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0367    1.9815   -0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    0.2944   -3.0293 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