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
    4.2131    1.2132    1.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031    0.8106    1.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1920    0.4025    2.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    0.9041   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    0.6097   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    0.0822    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1368   -0.1622    1.2169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652   -0.2037   -0.7798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -0.7273   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106   -0.9489   -1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9423   -0.6834   -2.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5437    0.8981    2.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    1.3033   -0.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    0.7629   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -1.7047    0.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192   -0.0628    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505   -1.3422   -0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -0.2772   -2.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7719   -0.8743   -3.1366 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