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
   -4.9164    0.0116    0.6693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5293   -0.1605    0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341   -1.3389    0.5714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008    1.0069    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4245    1.0758    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    0.0638    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -1.1447    0.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9442    0.3411   -0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -0.6658   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365   -0.0040   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -0.1184    0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5396   -0.7790    0.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2501    1.9864    0.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0086    2.1154   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783   -1.3656   -0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9148   -1.2589    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    0.5596   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854   -0.6881    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1580    0.3632    0.3440 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