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
   -3.5419    1.5585    1.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903    0.2106    0.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3551   -0.5398    1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -0.3504    0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1718    0.4087    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224   -0.1464   -0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.4093   -0.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1221    0.6314   -0.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2430    0.0008   -1.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998   -0.8901   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -1.0521    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979    1.9267    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1369   -1.4129    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170    1.4593    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -0.6397   -2.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    0.7381   -1.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011   -1.4724   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413   -0.5608    1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350   -1.7345    1.3977 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