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
    4.2457   -0.5227   -0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8588    0.5331    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242    1.3759    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4676    0.6754    0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5714   -0.1913    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -0.1053    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    0.8283    1.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8152   -0.9739    0.0537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1275   -0.8358    0.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576    0.3527    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9287    0.2286   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2016   -0.8527   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1649    1.4970    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -1.0469   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6855   -1.7323    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.9087    1.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    1.3774    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5454    1.0546   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2308   -0.7535   -1.0683 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