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

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
   -1.4514    2.1802    0.1731 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.2838    1.2378   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    1.5986   -0.8416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9608   -0.2092   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367   -0.5292    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -1.3804    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5950    0.0474   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5437    0.8521   -1.3593 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978   -0.2870    0.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    0.2302   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.7444    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734   -0.5725   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818   -1.6456    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4839   -1.8110    1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433   -0.5600   -0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3364    1.0043    0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501    0.5887   -1.3007 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