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
cid=

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
    2.9408    0.3954    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630   -0.4739    0.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857   -0.1214    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335    0.9667    0.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227   -1.0071   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835   -0.8622   -0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3177    0.2225   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405    1.1992    0.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7097    0.1964   -0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    1.2214    0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8299   -0.1117    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4622    0.9199    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2289   -1.9311   -0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -1.7126   -1.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079    1.0985   -0.6781 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