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
   -2.3514    2.0163   -0.9509 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0997    1.4058    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    2.1709    1.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9026   -0.0185    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.5448   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288   -1.4969   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6100    0.0027    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7101    0.9101    1.1022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652   -0.4981   -0.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954    0.0460    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850   -0.5655    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807   -0.2692    1.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861   -1.8912   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6607   -1.9234   -1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8926    1.1570    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3059   -0.2648    1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529   -0.2364   -0.7591 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