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
    4.3796    0.2299    1.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    0.2104   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    0.0998   -1.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    0.3173   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339    0.2975   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169    0.4060   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7364    0.3907   -2.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421    0.5270    0.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    0.6360    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.5471   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040   -1.2796    0.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169   -0.1832    1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    0.4099    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    0.2013   -2.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515    1.5485   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393    0.7269    1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680   -0.8140   -1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928   -1.0185    1.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -2.1589    0.2373 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