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
    5.1407    0.1087    0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8619    0.0054   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986   -0.1060   -1.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6640    0.0194    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785   -0.0819   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425   -0.0722    0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523    0.0348    1.9766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.1817    0.0906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229   -0.1865    0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432   -0.3243   -0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    0.6176   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9018   -0.3825   -0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.1142    1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110   -0.1768   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3525    0.7969    1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -0.9682    1.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970   -1.2112   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    0.5025   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1656    1.4916    0.1362 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