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
   -2.5402    2.0924    0.9165 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7106    1.0010    0.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    0.5196    1.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4985    0.4445   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -0.7073   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -1.8906   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665   -0.5822   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5820   -1.5570   -0.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    0.6514    0.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    0.8004    0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5115    0.1126   -0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1575    1.2773   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3284   -2.7530   -1.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0094   -1.9846   -1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    1.5129    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156    1.2526   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8897   -0.1901    1.0886 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