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
    4.1688    0.1005    1.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4671    0.1117   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660    0.0018   -1.2456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197    0.2433   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2869    0.3583    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    0.4887    0.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.5972    1.8296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484    0.4983   -0.4353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2302    0.6141   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9827   -0.4902    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5258   -1.5728    0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0414    0.6359    1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    0.2463   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850    0.3546    1.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    1.5528    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5566    0.7563   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0860   -0.3903    0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -2.3367    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -1.7699    0.7619 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