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
   -1.6472    1.4321   -1.0989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6689    0.5020   -1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7218    0.8326   -1.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6944   -0.7490   -0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -1.3407    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972   -0.8688    0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2800   -1.5780    1.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0879    0.3236    0.3222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3895    0.7227    0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267   -0.2242    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935    0.1777   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    2.4257   -0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521   -1.3224   -0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -2.3234    0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5569    1.7207    0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539    0.7969    1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299   -1.2523    0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1765   -0.4833   -0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4464    1.2081   -0.9068 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