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
    4.2023   -1.1031   -0.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6731    0.1900   -0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    1.1328   -0.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634    0.3989   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -0.6188   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0255   -0.4146    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473   -1.3978    0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    0.8391    0.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    1.0221    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    0.4147   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794   -0.5287   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273   -1.3146   -0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963    1.4114   -0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8236   -1.6240   -0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581    2.0994    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    0.6071    1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6968    0.7284   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738   -0.8474    0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3115   -0.9950   -0.9652 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