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
    2.0974   -0.3341    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   -0.3804    0.2178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.5650   -0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    1.4715   -1.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5404    0.5114   -0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.4579    0.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5279   -1.2792    0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.4869    0.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -0.1818   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491    1.2675   -0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049   -1.1955    0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628   -0.4733    0.4977 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