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
    4.2459   -0.0603   -0.4085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167   -0.3613   -1.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080   -0.4898   -2.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002   -0.5253   -1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914   -0.3884   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -0.5452    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.8192   -0.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -0.4076    1.4512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8569   -0.5722    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6735    0.3762    0.8363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592   -0.0228   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.2502   -0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437   -0.7617   -2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363   -0.1522    0.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844   -0.3708    2.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620   -1.6239    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341    1.4331    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6962   -1.0792   -0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    0.7022   -0.6277 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