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
   -2.3199   -0.2329   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -0.7329    0.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    0.0836   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0852    1.2222   -0.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -0.3861    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.3659    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    0.3669   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044    0.3950    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9611   -1.1265   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466   -1.3534    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3067    1.3437   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4628    0.0545    0.2231 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