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
    4.0646   -0.1760   -0.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2656    0.2792    0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7576    0.5711    2.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387    0.4158    0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    0.1039   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867    0.2494   -0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402   -0.0243   -1.7596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718    0.7038    0.3707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2618    0.8815    0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9537   -0.4131    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.5619    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667    0.0600   -0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    0.7751    1.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0089   -0.2528   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5578    1.6009   -0.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289    1.3608    1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0481   -0.4061    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.6846    0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -2.4829    0.0214 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