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
    4.8953    0.4302   -0.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848    0.2681    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9376    0.3729    1.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4545   -0.0160   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -0.1664    0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930   -0.4487    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -0.5574   -1.1783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0365   -0.6158    0.8552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109   -0.8926    0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7467    0.1885   -0.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8730    0.8315   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8177    0.6546   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099   -0.1099   -1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5432   -0.0754    1.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339   -1.0514    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883   -1.8691   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1622    0.4433   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2306    1.6319   -1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4880    0.6109    0.5008 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