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
   -3.6017    1.1336    0.5369 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7236    0.5057   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830   -0.2009   -1.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    0.6919   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257   -0.5471    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232   -1.7079    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -0.4649    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -1.5141    0.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    0.7419    0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9823    0.7808    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0765    1.4308    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    1.1796   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -1.7609    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -2.6461    0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617   -0.0845    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4492    0.7392   -0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127    1.7229    0.7858 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