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
    4.3205   -1.4840   -0.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3993   -0.4551   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    0.5816   -1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551   -0.5655   -0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2582    0.3916   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008    0.3226    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116   -0.7339    1.0870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450    1.3196    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1647    1.2383    1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0595    0.1618    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8439   -0.7150   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2697   -1.3349   -1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.4488    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    1.2658   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6658    2.2390    1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9664    1.0689    2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    0.0956    1.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6060   -1.4516   -0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9554   -0.7389   -0.9478 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