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
   -3.7729    1.4739   -0.9533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8176    0.5716    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9137    0.3129    0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071   -0.0541    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4126    0.1736    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2150   -0.4885    0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476   -1.3001    1.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395   -0.2848    0.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2028   -0.9382    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4107   -0.5258   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4018    0.3446   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5322    2.1334   -1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -0.7745    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2855    0.8692   -0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -0.6245    1.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0714   -2.0462    0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539   -0.9595    0.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4609    0.7879   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3028    0.6336   -1.7139 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