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
   -4.2779   -0.2639   -1.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3173    0.5467   -0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6180    1.7309   -0.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9766    0.0847   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1444    0.9461    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    0.5540    0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225    1.3524    1.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6054   -0.7381    0.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598   -1.2824    0.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -0.6891   -0.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763    0.2693   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2854   -0.1337   -0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -0.9317   -0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.9693    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277   -1.2617    1.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -2.3748    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582   -1.0891    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.6632   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911    0.6480   -1.1545 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