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
   -2.2912    0.3654   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9767    0.7534   -0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754   -0.0934   -0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1802   -1.1920    0.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    0.2994   -0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388   -0.5443   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404    1.0566    0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9144    0.5565   -1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3452   -0.6933    0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652    1.2465   -1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -0.2665   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777   -1.4883    0.1890 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