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
   -3.2689    0.0802    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320    0.5044    0.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551   -0.2682   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315   -1.3644   -0.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5178    0.1723    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5337   -0.5436   -0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -0.1510   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -0.8434   -0.5457 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    1.0638    0.4384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6301   -0.3026    1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005   -0.6051   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8752    1.0026   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    1.1212    0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -1.4948   -0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9937    1.6287    0.2163 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