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
   -3.9385    1.9175   -0.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6979    1.2931   -0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782    2.0961    0.0431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5102   -0.1098   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644   -0.8074   -0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1922   -0.4722    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    0.6787    0.4813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -1.4345    0.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1804    0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416   -0.3094    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570    0.1919   -1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1706    2.8308   -0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3866   -0.6208   -1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5733   -1.9015   -0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347   -2.1353    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348   -0.7458    1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365   -0.0937    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    0.8384   -1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932   -0.0356   -1.5553 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