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
   -2.7697    2.0122    0.8808 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.5307    1.3561    0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    2.0835    0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -0.1098    0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7441   -0.6897   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.4713   -1.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743   -0.4089   -0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -0.8885   -1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3765    0.3521    0.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7866    0.5630    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -0.5045    0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1620   -0.5221    1.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7952   -1.9179   -2.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110   -1.6365   -1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    1.4116    0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2652   -0.3951    0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747    0.7658   -0.8243 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