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
    2.2484   -1.7504   -1.8279 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.6267   -1.0004   -0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3918   -1.5125    0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2501    0.3885   -1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6044    0.9700    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066    2.0252    0.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.3711    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871    0.8420    1.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118   -0.7423    0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737   -1.3525    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522    0.4674   -2.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530    0.9876   -1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    2.4720    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264    2.4385    1.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1798   -1.1544   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -2.4643    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7386   -0.9854    1.4474 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