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
    2.1020    0.2370    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129    0.3911    0.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.6735   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -1.7615   -0.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5670   -0.5242   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095    0.6279    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4755   -0.7355    0.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    0.5008   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    1.0637    0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2152   -1.3562   -0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.4845    0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791    0.7460    0.3829 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