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
    2.9973    0.1900   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102    0.1651   -0.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8943   -0.8521    0.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393   -1.8322    0.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549   -0.7746    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    0.2678    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615    0.3184    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924   -0.6152    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022    1.3822   -0.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2691   -0.2006   -1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5570   -0.4129    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3573    1.2566   -0.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0764   -1.5805    0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165    1.0933   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3248    1.5949    0.0005 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