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
    2.1012    0.4194    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.5097    0.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -0.6477    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405   -1.7374    0.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5359   -0.6215   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1992    0.5093   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6264    0.9034   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -0.6591    0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453    0.8734    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711   -1.5333   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584    1.4430    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2730    0.5407   -0.1310 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