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
   -3.2301   -0.0957   -0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287    0.3824   -0.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229   -0.3778   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -1.6154   -0.0412 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926    0.2205   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5551   -0.5082    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674    0.1115    0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899   -0.5685    0.6205 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0528    1.4751    0.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6934    0.4177   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8224    0.2070    0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3116   -1.1925   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049    1.2846   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -1.5560    0.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993    1.8153   -0.3029 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