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
   -3.0707   -0.7724    1.6616 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.1329   -1.2054    0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5332   -2.2777    0.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837   -0.4180   -0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6540    0.4168   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801    1.7453   -0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368   -0.1818   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7779   -1.4130   -0.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7459    0.6182    0.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    0.0344    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485    0.2172   -0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -1.0945   -1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0852    2.3896   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7293    2.2150   -0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -0.5996    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760   -0.5574   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    0.8833    0.5001 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