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
    2.3453    0.0858    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    0.5846   -0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1052   -0.0661    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0286   -1.1512    1.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    0.4460    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5086   -0.1986    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -0.6682    1.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    0.9554    0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7891   -0.3904   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683    1.3825   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898   -1.1412    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5041    0.1614    0.3096 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