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
    4.2436   -1.1140    0.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2712   -2.0152   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656   -3.1392   -0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8504   -1.7142    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -0.5579    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.2931    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -1.1783    0.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5948    0.9138    0.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    1.2092    0.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928    1.0946   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0411    2.1573   -1.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   -1.1172   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473   -2.4625   -0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411    0.2317    0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1885    2.2094    1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475    0.4850    1.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.1549   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4075    2.0572   -2.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099    3.0784   -0.5633 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