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
   -1.9558    2.7928    0.1752 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3150    1.6056    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    1.5373    1.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    0.4128   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -0.7553    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375   -1.8463    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255   -0.7097    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3039   -1.6927    0.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    0.4315   -0.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    0.4732   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834    0.6327   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6985    0.1999   -0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5099   -1.9028    0.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750   -2.7147    0.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070    0.4215    0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307   -0.3232   -1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    1.4373   -0.8614 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