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
   -1.3497    2.8072   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8218    1.5290   -0.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5436    1.2645   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    2.2345   -0.6362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394   -0.0490    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -1.0121    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6558   -2.3661    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955   -2.5692    0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390   -3.3616    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2709    2.9113   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278    3.5493   -0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6181    2.8830   -1.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0956   -0.2305    0.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522   -0.8039    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -4.2967    1.2466 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