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
    4.9317   -0.3451   -0.7929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204   -0.0807   -1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    0.3797   -2.2811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5437   -0.3484   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2967   -0.1088   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423   -0.3759    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5373   -0.8419    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0967   -0.1411    0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0613   -0.4278    1.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342   -0.1221    0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7133    0.3652   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7142   -0.1594   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817   -0.7423    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236    0.2889   -1.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -1.4993    1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    0.1919    2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2406   -0.3102    1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7396    0.5722   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9394    0.5677   -1.1793 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