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
    5.1338    0.1016   -0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9076    0.7062   -0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    1.9200   -0.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459    0.0009   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722    0.5731   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627   -0.2162   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328   -1.4483    0.2982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081    0.3179   -0.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1242   -0.5216    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107    0.1549   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2438   -0.2847   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9516    0.3862   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009   -1.0275    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    1.6117   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1044   -0.9368    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0060   -1.3987   -0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6737    1.0067    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9981   -1.1388   -1.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1971    0.1935   -1.2462 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