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
   -4.3923    1.6403   -0.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5910    0.5821   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1413   -0.4619    0.1253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395    0.6034   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4246   -0.4404   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.4116   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008    0.6300   -0.5065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192   -1.4635    0.2939 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -1.4004    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762   -0.2740    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357    0.7553    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3869    1.5271   -0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    1.4939   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -1.3368    0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -1.2307   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895   -2.3194    0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -0.3186    2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.5723    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6099    0.8529   -0.4569 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