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
    2.0863    0.5312   -0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733    0.5583   -0.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345   -0.6200   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -1.6677   -0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668   -0.6829   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496    0.3785   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    1.5236   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -0.1121    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0872   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537   -1.6293    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7599    1.3309   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261    0.3023   -0.1258 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