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
   -2.6404   -1.9934   -0.6570 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6470   -1.4650    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -2.2307    0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329   -0.0671    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266    0.8210   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    1.8965   -0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005    0.5460   -0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4722    1.3238   -0.8792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3177   -0.5544    0.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -0.7704    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401   -0.0192    1.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    0.3013    0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2569    2.1595   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    2.5340   -1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689   -1.8415    0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337   -0.1752   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -0.4651    1.1063 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