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
   -2.5501   -0.7108    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1989   -0.3415    0.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    0.6276   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777    1.1438   -1.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    1.0751   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594    0.6967   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9296   -0.2887    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169   -0.9596    1.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2322   -0.5544    1.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526   -1.5125    1.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1371    0.1634    0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -1.0404   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    1.8834   -1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767    1.2222   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300   -1.4044    1.6448 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