Monomers

Allyl hydrogen maleate

Identifiers

IUPAC name
(Z)-4-oxo-4-prop-2-enoxybut-2-enoic acid
InchI
InChI=1S/C7H8O4/c1-2-5-11-7(10)4-3-6(8)9/h2-4H,1,5H2,(H,8,9)/b4-3-
InchI Key
PEKZMKOVRVVTTN-ARJAWSKDSA-N
SMILES
OC(=O)/C=C\C(=O)OCC=C
Canonical SMILES
C=CCOC(=O)C=CC(=O)O
Isomeric SMILES
C=CCOC(=O)/C=C\C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H8O4
Heavy Atom Count
11
Molecular Weight
156.137
Exact Molecular Weight
156.0423
Valence Electrons
60
Radical Electrons
0
tPSA
63.6
MolLogP
0.3564
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

 19 18  0  0  0  0  0  0  0  0999 V2000
    4.4746   -1.5027    0.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6120   -0.4244    0.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0933    0.5910    1.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156   -0.4776    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    0.5714    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386    0.6087   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6638    1.6215    0.1328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -0.4538   -0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9590   -0.4269   -1.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -0.2308    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486    0.8289    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533   -1.2486    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077   -1.3534   -0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525    1.4527    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980    0.2800   -1.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879   -1.4605   -1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8956   -0.9236    0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3099    0.9803    0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769    1.5677   -0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
  1 12  1  0
  4 13  1  0
  5 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers