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
    4.5243    0.3555    1.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6657   -0.1645    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2106   -0.7163   -0.5273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164   -0.0933    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   -0.5935   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358   -0.5289   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -1.0268   -1.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914    0.0519    0.8667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1090    0.1004    0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214    0.8270   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814    0.2338   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4260    0.7808    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8157    0.3880    1.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8728   -1.0634   -1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.5924    1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420   -0.9324    1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.8664   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0522    0.7331   -1.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492   -0.8102   -0.8370 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