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
    3.1432    1.8887    0.2864 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.3272    0.9028    0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    1.0601    1.9710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761   -0.2864    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171   -0.2622   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -0.3384   -1.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.1577    0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792   -0.0840    1.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446   -0.1367   -0.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376   -0.0375    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205   -0.4427   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379   -1.2292    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611   -0.4156   -2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5274   -0.3230   -2.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594   -1.0841    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8972    0.5464    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8233    0.3996   -0.1750 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