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
    0.4908   -2.1662   -0.7431 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.7631   -2.0099    0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6827   -2.6711    1.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -1.0381    1.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3623    0.9768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    1.1919    1.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212    0.8197   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090    2.0227   -0.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    0.0317   -1.3431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871    0.6046   -2.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394   -1.1903    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -1.1178    2.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968    0.8430    2.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634    2.2144    1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5294   -0.0960   -3.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685    0.6166   -2.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    1.5824   -2.7662 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