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
    2.0781    0.3428    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620    0.4209    0.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016   -0.6790   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565   -1.7437   -0.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -0.6050   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1012    0.5306    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    1.2008    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811   -0.5648    0.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    0.4994   -0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1737   -1.4660   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1837    0.6660    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5109    1.3979    0.4842 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