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
    3.3262    0.3067    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179    0.7992   -0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228   -0.0247    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668   -1.2487    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    0.4338   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -0.4004    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8238    0.0681   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1208    1.2556   -0.4541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8706   -0.8300   -0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272   -0.4247    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670   -0.3134   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0684    1.0704    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    1.4677   -0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814   -1.4530    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7757   -0.7066   -0.5132 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