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
    2.8508   -0.5648   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952    0.4468   -0.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    0.1275   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3428   -1.0831    0.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971    1.2020    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593    1.1605    0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4461   -0.0003    0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    0.1724    0.7530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -1.2833    0.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5346   -0.3078   -1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581   -1.5361   -0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -0.7109    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    2.2298   -0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    2.1685    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288   -2.0212    0.2150 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