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
    4.2950    0.4867   -0.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832    0.4760   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.0244    0.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.0083   -1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843    1.0866   -1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2054    0.6489   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105    0.8313   -1.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1357    0.0449    0.4636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523   -0.3540    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -1.3437    0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3783   -1.0931    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7969   -0.1563    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997    1.4251   -2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5508    1.5589   -2.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449   -0.8552    2.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8592    0.4951    1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7027   -2.3003    0.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8086   -0.1286    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -1.8060   -0.2536 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