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
    2.3383    0.0137    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0817   -0.4388    0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -0.0014   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0081    0.7892   -0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -0.4071    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838    0.0637   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418   -0.1895    0.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -0.4072   -0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2938    1.1403   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -1.0830    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4198    0.7391   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726   -0.2190    0.1700 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