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
   -5.0913    0.5406    0.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8850    0.3261   -0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8710    0.1036   -1.8801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171    0.3543    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847    0.1537   -0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488    0.1951    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808    0.4200    1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9924   -0.0148   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    0.0510    0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.1700   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1651   -1.1693    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8422    0.9311   -0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    0.5463    1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -0.0332   -1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880   -0.6316    1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277    1.1078    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978    0.4800   -1.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -1.8421    0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1112   -1.3485   -0.4030 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