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
   -3.5110    0.4434    0.9885 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.6748    0.7068   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    0.8969   -1.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331    0.7615    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5415   -0.4963   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860   -1.5211   -0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8873   -0.5480   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   -1.5885   -0.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    0.5288    0.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.5153    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0265    0.8573    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7511    1.6554   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600   -2.4041   -1.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2486   -1.4728   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807    1.1048   -0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617   -0.5296    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956    1.0903    1.5123 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