Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
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

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.1075    0.3352    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    0.4645    0.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104   -0.6522    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -1.7751    0.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452   -0.5414    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1174    0.6164   -0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    1.0795   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    0.4110    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595   -0.6980    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1618   -1.4159    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811    1.4838   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913    0.6922   -0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers