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
   -1.4571    2.4009    0.1547 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.6715    1.2611   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.4044   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626   -0.0577    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -0.9016   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7311   -2.0474   -0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692   -0.5043    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350   -1.2541   -0.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466    0.6792    0.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    1.0637    1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347    0.0324    1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6579   -0.6082   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7227   -2.3583   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1111   -2.6960   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    0.7771    2.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344    0.6353    0.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463    2.1734    1.0682 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