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
   -4.1527   -0.8134    0.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732    0.0732   -0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4564    0.8052   -0.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399    0.1380   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.6438    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0272   -0.5682    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -1.2974    0.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    0.2992   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.4494   -1.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197    0.8598    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    0.1002    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1606   -0.8049    1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.8273   -1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967   -1.3266    1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454    1.1554   -1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107   -0.5529   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5279    1.7801    0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469    0.3759    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306   -0.8567   -0.0953 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