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
   -0.9658   -3.1534   -2.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -3.0169   -1.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4134   -3.7783   -1.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341   -1.9769   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822   -1.1403   -1.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597   -0.1354   -0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805   -0.0571    0.9705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3766    0.7666   -0.5142 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    1.7377    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.5707    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1189    2.6433    1.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -3.4234   -3.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -1.8974    0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721   -1.2031   -2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217    1.2165    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5680    2.3848    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    3.1232   -0.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443    3.2443    2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    2.0953    2.7951 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