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
    1.9702    0.1009    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    0.4786    0.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570   -0.2660   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778   -1.2442   -1.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    0.0702   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0091    1.0944   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5693    0.9486    1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4079   -0.3357   -0.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053   -0.7457    1.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9302   -0.5255   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235    1.7167    0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0338    1.3660   -0.4358 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