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
   -2.2052    1.4399    0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9852    0.4105   -0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2245    0.7135   -0.3313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5701   -0.9408   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4047   -1.4924   -0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556   -0.9088    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8977   -1.6510    0.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    0.3900    0.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    0.8061    0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3212    0.6496   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766   -0.1212   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437    2.4272    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3990   -1.6089   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3631   -2.5723   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    1.8959    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6544    0.3065    1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1892    1.1653   -1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115   -0.6391    0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -0.2700   -0.8488 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