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
    2.1743    1.7236    0.2892 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    0.6935    0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    1.0082    0.6845 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -0.6704    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4858   -1.2206    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199   -0.6132    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0180    0.5876    0.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761   -1.3928    0.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2192   -0.8085    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115   -0.1500   -1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832    1.1465   -1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944    2.4494   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -1.3550    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722   -2.3315    0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9657   -1.6550    0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -0.1252    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1617   -0.7015   -2.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432    1.7543   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575    1.6605   -2.1782 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