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
    3.8894    0.9607    0.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7911   -0.2996    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8531   -0.9241   -0.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935   -0.8598   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592   -0.2336   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -0.7839   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -1.9248   -0.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -0.0747   -0.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -0.5605   -0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759    0.4649   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9719    1.5965    0.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657    1.5694    0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591   -1.8386   -0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    0.7465    0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -0.8440   -1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977   -1.4629    0.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4521    0.3256   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130    1.7629    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392    2.3801    0.8126 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