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
    4.4247   -0.5546    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4383    0.3279   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7732    1.5159   -0.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0565   -0.0523   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    0.8210   -0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2406    0.4464   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    1.3192   -1.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7029   -0.8126   -0.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0425   -1.1345   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -0.4537    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.4341    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3683   -0.3531    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408   -1.0513    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945    1.8155   -0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291   -2.2500   -0.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026   -0.9902   -1.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -0.7056    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    0.9243    1.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924    0.7535    1.3551 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