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
   -2.2911   -0.2526    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964   -0.7847    0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731    0.0383   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489    1.1718   -0.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472   -0.3758    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194    0.4039   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    0.3629   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171    0.3754    1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -1.0770    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -1.3314    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4370    0.0873   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682    1.3819   -0.7545 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