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
    3.2534   -1.4620   -0.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648   -0.6462    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890   -0.7135    0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    0.2301    1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    0.4800    1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5312   -0.0838    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329   -0.9192   -0.7448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8254    0.3134    0.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319   -0.2149   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0636    0.3905   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0890   -0.3863   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815   -1.4965   -1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1615    0.8111    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9562    1.2220    1.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553   -1.3108   -0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    0.1535   -1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029    1.4559   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725   -1.4702   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0857   -0.0112   -0.1128 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