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
   -2.5996    2.1373   -0.5093 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6725    1.1085   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883    1.0732   -1.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    0.0801    0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6167   -0.9040    0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9237   -2.1673    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619   -0.4956    0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572   -1.3441    0.2233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    0.8131    0.5938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5424    1.1833    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.4209    0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.5837    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550   -2.4935    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   -2.8759    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6626    2.2608    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401    0.8415    1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    0.6198   -0.2696 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