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
    1.0188   -1.7658    0.7976 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.8285   -1.2019   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6849   -1.8515   -0.8045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6634    0.2351   -0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    0.8694    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    1.8705    1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850    0.4069    0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    0.9860    1.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1991   -0.6317   -0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5427   -1.0862   -0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    0.7474   -0.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    0.3034   -1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    2.2466    1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947    2.3371    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633   -1.2569    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -1.9525   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281   -0.2558   -1.0100 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