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
    4.3255    1.1921   -0.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    0.5828    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989    0.3723    1.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.1912    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642   -0.3857    0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0078   -0.7677    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022   -1.3104    1.5424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4801   -0.5143   -0.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -0.8645   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7242   -0.1332   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080    0.6991   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    1.8574   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7423    0.3860   -0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.5767    1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305   -1.9641   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -0.5965   -1.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7046   -0.2575    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6365    0.8313   -1.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142    1.2585    0.0589 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