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
   -2.3324   -0.0881    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514   -0.6945   -0.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0896    0.0896   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    1.3340   -0.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.5115   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    0.2079   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2356    0.9941    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9719   -0.5551    0.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8397   -0.2096   -0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4886   -1.5910   -0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919    1.2880   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833   -0.2638   -0.3480 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