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
    2.3055   -0.3685   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668   -0.8418   -0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    0.0564   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2126    1.2752   -0.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.3896   -0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4248    0.5074   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0270   -1.0981   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    0.5146   -0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5279   -0.0447    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371   -1.4151   -0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124    1.5689   -0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4698    0.2354   -0.4715 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