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
   -2.0080    2.6180   -0.7395 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4815    1.3538   -0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1082    0.7217   -1.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3612    0.7573    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696   -0.6035    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3941   -1.6790    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5541   -0.7216    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -1.8573   -0.0106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2907    0.3515   -0.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    0.2655   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6084    1.3742    1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2807    0.7904    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -1.6433    1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100   -2.6352    0.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390    1.0867   -1.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    0.5072   -0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7934   -0.6863   -1.4457 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