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
    3.8210    0.9991   -0.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7475   -0.3564   -0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090   -1.0127   -0.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   -0.9425   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -0.1990   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0837   -0.7692    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0098   -1.9875    0.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846   -0.0236    0.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3359   -0.5852    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    0.4770    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0506    1.7189    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350    1.4102   -0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -1.9899    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353    0.8491   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032   -1.4337    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2595   -0.8776    1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3989    0.2360    0.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784    2.5130    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0226    1.9740    0.0324 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