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
   -1.9936    2.0940    0.0238 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4480    0.8123   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4909    0.4733    0.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8067   -0.1885   -0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342   -0.7037   -0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -1.9548   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943    0.2077   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524    1.4048   -0.6329 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -0.1938    0.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    0.7454    0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -1.0361   -1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5829    0.3154   -1.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269   -2.6986   -0.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -2.2657    0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202    1.3806   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977    1.4003    1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410    0.2074    0.2912 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