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
   -2.3470    0.0683   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0653    0.6505   -0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145   -0.0883   -0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126   -1.3319   -0.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    0.5313    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -0.2193   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432    0.3214   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3442   -1.0207   -0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    0.5535    0.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5413    1.5942    0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    0.2313    0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460   -1.2902   -0.1248 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