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
   -3.2804    1.0833   -0.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6404   -0.1749    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9093   -0.3470    0.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074   -1.2147    0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297   -1.1697    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.1061   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8402    1.0446   -0.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -0.3940   -0.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7809    0.5896   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -0.0392   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0625    0.4319    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9489    1.8377   -0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1466   -2.1850    0.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087   -2.1426    0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    1.4487    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765    0.9832   -1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238   -0.9020   -1.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0283   -0.0623    0.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    1.3184    0.9420 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