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
   -2.2114   -0.5948    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757    0.1871   -0.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -0.0603    0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3977   -0.9694    0.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1686    0.7747   -0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    0.5546   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001   -0.7578    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1615   -1.5868   -0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -0.0733    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071    1.5698   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229   -0.2275    0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1881    1.1837   -0.5981 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