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
    4.4877    1.0493    1.5388 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    0.6418    0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243    0.5277   -0.6188 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.3578    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.0248   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0377   -0.3203   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4442   -0.2042    1.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7867   -0.7222   -1.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693   -1.0109   -0.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801    0.1872   -0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116    0.1928    0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371    0.6685    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686    0.4469    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027   -0.1181   -1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398   -1.8506   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5531   -1.2717   -1.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662    1.0779   -0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0120    1.0885    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225   -0.7157    1.4247 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