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
    2.3253    0.0412    0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654   -0.1996    1.0903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0936    0.0033    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    0.4010   -0.8431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -0.2148    0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4793   -0.0083    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756   -0.3732   -0.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    1.1466    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -0.4027    1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402   -0.5527    1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507    0.3296   -0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667   -0.1704    0.5397 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