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
    4.1842    1.0076   -0.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291    0.7317    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1990    0.9283    1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1570    0.2472    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262    0.0681   -0.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503   -0.4162   -0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4914   -0.6026   -1.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926   -0.6873    0.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8240   -1.1596    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863   -0.2109   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7429    0.3099    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    1.7763   -0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    0.0570    1.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9844    0.2653   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -2.1413   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0424   -1.2959    1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7396    0.0791   -1.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8049    0.0336    1.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4676    1.0096    0.1490 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