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
    4.4430    1.4952   -0.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5434    0.5659    0.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9681   -0.2704    1.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598    0.5274   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -0.3633    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0755   -0.3925   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700    0.4546   -0.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9813   -1.3267    0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -1.3723   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411   -0.2112    0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810    0.8602    0.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    1.3539   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    1.2544   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6672   -1.0878    1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682   -1.6043   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7624   -2.2807    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2019   -0.2580   -0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847    0.9816    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4856    1.6740    1.1796 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