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
    3.1620    2.1948    0.1120 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.6630    0.8605    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427   -0.0909    0.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.7198   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6324   -0.6119   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224   -1.7588    0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494   -0.6262   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -1.7199   -0.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568    0.5294   -0.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9650    0.5867   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6541    1.3425    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787    1.2205   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200   -2.6843    0.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629   -1.8907    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886    1.6724   -0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4425    0.2886    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059   -0.0325   -1.4308 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