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
    4.8288   -0.2781    0.5871 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886   -0.2254    1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -0.4435    2.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    0.0769    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    0.1232    0.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    0.4268    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941    0.6439   -1.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    0.4978    0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3103    0.7940   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115   -0.1744   -1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -0.8539   -1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5469   -0.8361    1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5505    0.2612   -0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422   -0.0592    1.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    1.8015   -0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2012    0.8476    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -0.3233   -2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477   -1.5809   -2.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4074   -0.6981   -0.6602 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