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
   -4.2843    0.3120   -0.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523    0.8352    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695    1.3975    1.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    0.7270    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187    0.1350   -0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243    0.0487   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.5252   -1.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7738    0.5648    0.5749 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    0.4365    0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5662   -0.9987    0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941   -1.4540   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1500    0.7512   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539    1.1568    1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455   -0.2795   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    0.9810   -0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5482    0.8550    1.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2475   -1.6127    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091   -0.8276   -1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5651   -2.5031   -0.4616 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