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
    2.0728    0.2396   -0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    0.4493   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499   -0.6421   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3344   -1.7775   -0.3904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599   -0.4802    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0334    0.6836    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -0.0784    0.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.6164   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461    1.1568   -0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117   -1.3365    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781    1.5393    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    0.8625    0.7704 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