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
    2.9680    0.3108   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    0.2099   -0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738   -0.9267    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5721   -1.9114    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690   -0.9196    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993    0.1755   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300    0.2951   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409   -0.6770    0.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337    1.4603   -0.6352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605   -0.2311    0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2271    1.3948   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -0.1375   -1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0796   -1.8142    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    1.0606   -0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1830    1.7105   -0.3318 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