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
    3.5272    2.1422    0.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4709    1.2013   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4529    1.7232   -0.5406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423   -0.1663    0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137   -1.1730    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4657   -1.1548   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   -2.2606   -0.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282   -0.0976   -0.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346   -0.1146   -1.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4765   -0.5286   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4621    0.2526    0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    3.1293    0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349   -0.4418    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -2.1847    0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6659   -0.8296   -2.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636    0.8644   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3323   -1.5179    0.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5835    1.2175   -0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1323   -0.0610    1.0283 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