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
    2.6734   -3.1884   -1.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884   -2.8531   -1.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049   -3.4710   -2.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -1.8377   -1.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9895   -1.2201   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516   -0.1882    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180    0.3705    1.5426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434    0.2251   -0.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    1.2266    0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1884    2.5242    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377    3.0706    1.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -3.5314   -1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723   -1.5764   -1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9146   -1.4849    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255    0.8640    1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    1.3734   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939    3.0895   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5503    4.0301    1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002    2.5773    2.7217 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