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
   -1.0575    0.2545    1.9230 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7311   -0.6634    1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914   -1.5366    1.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694   -0.6407   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    0.4205   -0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0789    1.3567   -1.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.4416   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117    1.3397   -0.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379   -0.5195    0.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -0.4635    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -0.4937   -0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968   -1.6579   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1204    1.3553   -1.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4587    2.1630   -1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089   -0.4881    0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278    0.4873    1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8177   -1.3551    1.5464 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