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
    2.3103    0.0247    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518    0.5200    0.7291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -0.0313    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -0.9407   -0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    0.4054    0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818   -0.1389   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    0.5634   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0770    0.2056    1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1912   -1.0476    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162    1.1914    1.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546   -0.9231   -0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855    0.1711    0.1778 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