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
   -2.0705    2.8058    0.3283 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4754    1.6109   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9496    1.4540   -1.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    0.5045    0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8064   -0.7039    0.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597   -1.8328    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -0.7064    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -1.7366   -0.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    0.4459    0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543    0.4352   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0589    0.8663    1.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5342    0.2597    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9842   -2.7165    0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -1.8819    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    0.4228   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199   -0.5090    0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024    1.2822    0.1720 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