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
    4.0723    1.1525   -0.6761 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163   -0.0892   -1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -0.7704   -1.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889   -0.5663   -0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    0.1287   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135   -0.3364    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2189   -1.4683   -0.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971    0.4702    1.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826   -0.0007    1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163   -0.1807    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    0.5051   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509    1.3100   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779   -1.5330   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709    1.0929    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5363    0.6576    2.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -1.0074    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3640   -0.8547   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3535    0.3780   -1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1833    1.1813    0.6682 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