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
    2.9438    2.4951    0.4554 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.5739    1.1329    0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263    0.3484    0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506    0.8830    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895   -0.4898    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -1.5835    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -0.6558    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3059   -1.8012   -0.0498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666    0.4028    0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0537    0.2229    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    1.4506   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061    1.3201    1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -2.5649   -0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781   -1.6639    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -0.6086   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5262    1.1757   -0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4137   -0.0637    1.0515 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