Monomers

3-Methoxycarbonylbut-3-enoate

Identifiers

IUPAC name
3-methoxycarbonylbut-3-enoate
InchI
InChI=1S/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)/p-1
InchI Key
KBFJHOCTSIMQKL-UHFFFAOYSA-M
SMILES
[O-]C(=O)CC(=C)C(=O)OC
Canonical SMILES
COC(=O)C(=C)CC(=O)[O-]
Isomeric SMILES
COC(=O)C(=C)CC(=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7O4-
Heavy Atom Count
10
Molecular Weight
143.118
Exact Molecular Weight
143.035
Valence Electrons
56
Radical Electrons
0
tPSA
66.43
MolLogP
-1.1444
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.7254    2.7665    0.2577 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.8000    1.8120   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402    2.0635   -1.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7881    0.5406    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7881   -0.4150    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1513   -1.5984   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193   -0.0671    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9986    1.0625    0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -0.9248   -0.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874   -0.5821   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8166    0.1278    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6263    0.8306    1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960   -1.8912   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -2.3268   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153   -1.4805   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -0.0741   -1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2224    0.1564    0.5122 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  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
 10 15  1  0
 10 16  1  0
 10 17  1  0
M  CHG  1   1  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers