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
    4.1561   -0.9390   -0.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676    0.1831    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    0.9765    0.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    0.3874    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -0.4608   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -0.2352   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8690   -1.0273   -0.8847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5739    0.8735    0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9704    1.0905    0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   -0.0098    1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166   -0.7084    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1606   -1.0603   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    1.2622    0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7907   -1.3282   -0.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139    1.1737   -0.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1872    2.0762    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755   -0.2659    2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8438   -0.4665   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -1.5215    0.8202 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