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
    2.3464    0.0218   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.0578   -0.6692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162   -0.0112    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.1094    1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204    0.0271   -0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4886   -0.0415    0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3131    0.4085    0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    0.7000   -0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861   -1.0215   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4735    0.1109   -1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4866   -0.0168   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137   -0.1258    1.2909 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