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
   -2.0684    0.9302   -1.3709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8603   -0.1924   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0132   -0.1554   -1.7931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4836   -1.3393   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3946   -1.5408    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2172   -0.7280    0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739   -1.1630    1.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134    0.5234   -0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    1.2559    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006    0.5747   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    0.2755    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5227    1.8439   -1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2572   -2.1462   -0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201   -2.5283    0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    1.5522    1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561    2.2290   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134    0.3128   -1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812   -0.2273    0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    0.5230    1.5182 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