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
    2.1135    0.2013    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7212    0.3864    0.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.5886   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948   -1.6424   -0.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003   -0.4363   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720    0.6626    0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295   -0.8872    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082    0.5891   -0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    0.7218    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -1.2307   -0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168    1.4254    0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    0.7986    0.5790 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