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
    4.9084    0.0303    0.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935    0.0212    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182   -0.3062    1.5049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279    0.3815   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    0.4321   -0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    0.1489    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6222   -0.2051    1.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399    0.2690   -0.2211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443   -0.0019    0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2487    0.2234    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1262   -0.7535   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4478   -0.2166    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047    0.6559   -1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675    0.7447   -1.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488    0.6901    1.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -1.0201    1.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5167    1.1974   -0.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607   -1.7243    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0624   -0.5667   -0.5873 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