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
    4.4949   -1.0667   -0.4812 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    0.0051   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    1.1321   -0.8489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -0.1353   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3663    0.8929   -0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    0.6813   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8998    1.6183   -0.3644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543   -0.5813    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476   -0.8019    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7506   -0.4407   -0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890    0.4920   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5015   -0.9945   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -1.1295   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    1.8705   -0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013   -0.3417    1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457   -1.9173    0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5260   -0.9775   -1.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    0.9848    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428    0.7093   -1.8150 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