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
   -3.1033    0.9550    1.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675   -0.1343    0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559   -0.2515    0.7384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8187   -1.0948   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.1647   -0.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -0.2890    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6782    0.7257    1.0293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -0.5484    0.0163 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    0.3293    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914   -0.0682    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    0.7389   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140    1.8337    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4141   -1.8946   -0.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -2.0106   -0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7499    0.4414    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821    1.3414    0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5431   -1.0406    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    1.7069   -0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634    0.4245   -0.8501 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